3-(3-chloranyl-4-methyl-phenyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chloro-4-methylphenyl)-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]thiourea Traditional Name: 1-benzyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C27H25Cl2N3S MolecularWeight: 494.4785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25Cl2N3S/c1-20-12-13-24(16-26(20)29)30-27(33)32(17-21-7-3-2-4-8-21)19-25-11-6-14-31(25)18-22-9-5-10-23(28)15-22/h2-16H,17-19H2,1H3,(H,30,33)