1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea

Systemtic Name: 1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea Openeye Name: 1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea CAS Name: 1-[2-[[4-[[[3-(isocyanatomethyl)anilino]-oxomethyl]amino]phenyl]methyl]phenyl]-3-[3-(isocyanatomethyl)phenyl]urea IUPAC Name: 1-[3-(isocyanatomethyl)phenyl]-3-[2-[[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea Traditional Name: 1-[3-(isocyanatomethyl)phenyl]-3-[2-[4-[[3-(isocyanatomethyl)phenyl]carbamoylamino]benzyl]phenyl]urea Formula: C31H26N6O4 MolecularWeight: 546.57594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)CN=C=O)NC(=O)NC4=CC=CC(=C4)CN=C=O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)CN=C=O)NC(=O)NC4=CC=CC(=C4)CN=C=O

InChI

InChI=1S/C31H26N6O4/c38-20-32-18-23-5-3-8-27(16-23)35-30(40)34-26-13-11-22(12-14-26)15-25-7-1-2-10-29(25)37-31(41)36-28-9-4-6-24(17-28)19-33-21-39/h1-14,16-17H,15,18-19H2,(H2,34,35,40)(H2,36,37,41)