(1S)-N-(4-ethanoylphenyl)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethyl)imino-cyclohexane-1-carbothioamide

Systemtic Name: (1S)-N-(4-ethanoylphenyl)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethyl)imino-cyclohexane-1-carbothioamide Openeye Name: (1S)-N-(4-acetylphenyl)-2-benzylimino-4,4-dimethyl-6-oxo-cyclohexanecarbothioamide CAS Name: (1S)-N-(4-acetylphenyl)-4,4-dimethyl-2-oxo-6-(phenylmethyl)imino-1-cyclohexanecarbothioamide IUPAC Name: (1S)-N-(4-acetylphenyl)-2-benzylimino-4,4-dimethyl-6-oxocyclohexane-1-carbothioamide Traditional Name: (1S)-N-(4-acetylphenyl)-2-benzylimino-6-keto-4,4-dimethyl-cyclohexanecarbothioamide Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)C2C(=NCC3=CC=CC=C3)CC(CC2=O)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)[C@H]2C(=NCC3=CC=CC=C3)CC(CC2=O)(C)C

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/h4-12,22H,13-15H2,1-3H3,(H,26,29)/t22-/m0/s1