1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylphenyl)thiourea

Systemtic Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylphenyl)thiourea Openeye Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(m-tolyl)thiourea CAS Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-cycloheptyl-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-cycloheptyl-1-[[1-(2,4-dimethylbenzyl)pyrrol-2-yl]methyl]-3-(m-tolyl)thiourea Formula: C29H37N3S MolecularWeight: 459.68918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC2=CC=CN2CC3=C(C=C(C=C3)C)C)C4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC2=CC=CN2CC3=C(C=C(C=C3)C)C)C4CCCCCC4

InChI

InChI=1S/C29H37N3S/c1-22-10-8-11-26(19-22)30-29(33)32(27-12-6-4-5-7-13-27)21-28-14-9-17-31(28)20-25-16-15-23(2)18-24(25)3/h8-11,14-19,27H,4-7,12-13,20-21H2,1-3H3,(H,30,33)