1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-benzyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3-methoxyphenyl)thiourea Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26ClN3OS/c1-32-26-14-6-12-24(17-26)29-27(33)31(18-21-8-3-2-4-9-21)20-25-13-7-15-30(25)19-22-10-5-11-23(28)16-22/h2-17H,18-20H2,1H3,(H,29,33)