3,5,7-trimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: 3,5,7-trimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: 3,5,7-trimethyl-N-(p-tolylcarbamothioyl)adamantane-1-carboxamide CAS Name: 3,5,7-trimethyl-N-[(4-methylanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: 3,5,7-trimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: 3,5,7-trimethyl-N-(p-tolylthiocarbamoyl)adamantane-1-carboxamide Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)C23CC4(CC(C2)(CC(C4)(C3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)C23CC4(CC(C2)(CC(C4)(C3)C)C)C

InChI

InChI=1S/C22H30N2OS/c1-15-5-7-16(8-6-15)23-18(26)24-17(25)22-12-19(2)9-20(3,13-22)11-21(4,10-19)14-22/h5-8H,9-14H2,1-4H3,(H2,23,24,25,26)