N-(4-ethanoylphenyl)-4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide

Systemtic Name: N-(4-ethanoylphenyl)-4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenecarbothioamide IUPAC Name: N-(4-acetylphenyl)-2-(benzylamino)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-2-(benzylamino)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O2S/c1-16(27)18-9-11-19(12-10-18)26-23(29)22-20(13-24(2,3)14-21(22)28)25-15-17-7-5-4-6-8-17/h4-12,25H,13-15H2,1-3H3,(H,26,29)