1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,5-dimethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,5-dimethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(3,5-dimethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-benzyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3,5-dimethylphenyl)thiourea Formula: C28H28ClN3S MolecularWeight: 474.06002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C28H28ClN3S/c1-21-14-22(2)16-26(15-21)30-28(33)32(18-23-8-4-3-5-9-23)20-27-12-7-13-31(27)19-24-10-6-11-25(29)17-24/h3-17H,18-20H2,1-2H3,(H,30,33)