1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(2,6-dimethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-benzyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)thiourea Formula: C28H28ClN3S MolecularWeight: 474.06002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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