3,5-dimethyl-N-[(2-methylphenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(2-methylphenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: 3,5-dimethyl-N-(o-tolylcarbamothioyl)adamantane-1-carboxamide CAS Name: 3,5-dimethyl-N-[(2-methylanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: 3,5-dimethyl-N-[(2-methylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: 3,5-dimethyl-N-(o-tolylthiocarbamoyl)adamantane-1-carboxamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C

InChI

InChI=1S/C21H28N2OS/c1-14-6-4-5-7-16(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)