3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: 3,5-dimethyl-N-(p-tolylcarbamothioyl)adamantane-1-carboxamide CAS Name: 3,5-dimethyl-N-[(4-methylanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: 3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: 3,5-dimethyl-N-(p-tolylthiocarbamoyl)adamantane-1-carboxamide Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C

InChI

InChI=1S/C21H28N2OS/c1-14-4-6-16(7-5-14)22-18(25)23-17(24)21-10-15-8-19(2,12-21)11-20(3,9-15)13-21/h4-7,15H,8-13H2,1-3H3,(H2,22,23,24,25)