1-aminocarbonyl-3-[2-[4-[[4-[2-[[aminocarbonyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chloranyl-phenyl]methyl]-2-chloranyl-phenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea

Systemtic Name: 1-aminocarbonyl-3-[2-[4-[[4-[2-[[aminocarbonyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chloranyl-phenyl]methyl]-2-chloranyl-phenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea Openeye Name: 1-carbamoyl-3-[2-[4-[[4-[2-[[carbamoyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chloro-phenyl]methyl]-2-chloro-phenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea CAS Name: 1-carbamoyl-3-[2-[4-[[4-[2-[[[N-carbamoyl-3-(isocyanatomethyl)anilino]-oxomethyl]amino]-6-(isocyanatomethyl)phenyl]-3-chlorophenyl]methyl]-2-chlorophenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea IUPAC Name: 1-carbamoyl-3-[2-[4-[[4-[2-[[carbamoyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chlorophenyl]methyl]-2-chlorophenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea Traditional Name: 1-carbamoyl-3-[2-[4-[4-[2-[[carbamoyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chloro-benzyl]-2-chloro-phenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea Formula: C49H36Cl2N10O8 MolecularWeight: 963.77834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(C(=O)N)C(=O)NC2=CC=CC(=C2C3=C(C=C(C=C3)CC4=CC(=C(C=C4)C5=C(C=CC=C5NC(=O)N(C6=CC=CC(=C6)CN=C=O)C(=O)N)CN=C=O)Cl)Cl)CN=C=O)CN=C=O

Isomeric SMILES

C1=CC(=CC(=C1)N(C(=O)N)C(=O)NC2=CC=CC(=C2C3=C(C=C(C=C3)CC4=CC(=C(C=C4)C5=C(C=CC=C5NC(=O)N(C6=CC=CC(=C6)CN=C=O)C(=O)N)CN=C=O)Cl)Cl)CN=C=O)CN=C=O

InChI

InChI=1S/C49H36Cl2N10O8/c50-40-20-30(13-15-38(40)44-34(24-56-28-64)7-3-11-42(44)58-48(68)60(46(52)66)36-9-1-5-32(18-36)22-54-26-62)17-31-14-16-39(41(51)21-31)45-35(25-57-29-65)8-4-12-43(45)59-49(69)61(47(53)67)37-10-2-6-33(19-37)23-55-27-63/h1-16,18-21H,17,22-25H2,(H2,52,66)(H2,53,67)(H,58,68)(H,59,69)