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

Systemtic Name: 3,5,7-trimethyl-N-[(phenylmethyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-(benzylcarbamothioyl)-3,5,7-trimethyl-adamantane-1-carboxamide CAS Name: 3,5,7-trimethyl-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(benzylcarbamothioyl)-3,5,7-trimethyladamantane-1-carboxamide Traditional Name: N-(benzylthiocarbamoyl)-3,5,7-trimethyl-adamantane-1-carboxamide Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)NCC4=CC=CC=C4)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)NCC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H30N2OS/c1-19-10-20(2)12-21(3,11-19)15-22(13-19,14-20)17(25)24-18(26)23-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H2,23,24,25,26)