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

Systemtic Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cycloheptyl-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-1-cycloheptyl-3-(2,3-dimethylphenyl)thiourea Formula: C28H34ClN3S MolecularWeight: 480.10766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4)C

InChI

InChI=1S/C28H34ClN3S/c1-21-11-9-17-27(22(21)2)30-28(33)32(24-13-5-3-4-6-14-24)20-25-15-10-18-31(25)19-23-12-7-8-16-26(23)29/h7-12,15-18,24H,3-6,13-14,19-20H2,1-2H3,(H,30,33)