1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2-methylphenyl)thiourea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(o-tolyl)thiourea CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cycloheptyl-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2-methylphenyl)thiourea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-1-cycloheptyl-3-(o-tolyl)thiourea Formula: C27H32ClN3S MolecularWeight: 466.08108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

InChI

InChI=1S/C27H32ClN3S/c1-21-11-6-9-17-26(21)29-27(32)31(23-13-4-2-3-5-14-23)20-24-15-10-18-30(24)19-22-12-7-8-16-25(22)28/h6-12,15-18,23H,2-5,13-14,19-20H2,1H3,(H,29,32)