3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide

Systemtic Name: 3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide Openeye Name: 3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide CAS Name: N-[anilino(sulfanylidene)methyl]-3,5,7-trimethyl-1-adamantanecarboxamide IUPAC Name: 3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide Traditional Name: 3,5,7-trimethyl-N-(phenylthiocarbamoyl)adamantane-1-carboxamide Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)NC4=CC=CC=C4)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)NC4=CC=CC=C4)C)C

InChI

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