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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C=CC=C2CN(C3CCCCCC3)C(=S)NC4=CC=CC=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C=CC=C2CN(C3CCCCCC3)C(=S)NC4=CC=CC=C4C)C

InChI

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