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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4Cl)Cl

InChI

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