3-(3-chloranyl-4-methoxy-phenyl)-1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-thiourea Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptylthiourea IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptylthiourea Traditional Name: 1-[[5-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl]-3-(3-chloro-4-methoxy-phenyl)-1-cycloheptyl-thiourea Formula: C27H31Cl2N3OS MolecularWeight: 516.52554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N(CC2=CC=C(N2)CC3=CC=CC=C3Cl)C4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N(CC2=CC=C(N2)CC3=CC=CC=C3Cl)C4CCCCCC4)Cl

InChI

InChI=1S/C27H31Cl2N3OS/c1-33-26-15-14-21(17-25(26)29)31-27(34)32(23-9-4-2-3-5-10-23)18-22-13-12-20(30-22)16-19-8-6-7-11-24(19)28/h6-8,11-15,17,23,30H,2-5,9-10,16,18H2,1H3,(H,31,34)