(1R)-N-(4-butylphenyl)-4,4-dimethyl-2-oxidanylidene-6-phenethylimino-cyclohexane-1-carbothioamide

Systemtic Name: (1R)-N-(4-butylphenyl)-4,4-dimethyl-2-oxidanylidene-6-phenethylimino-cyclohexane-1-carbothioamide Openeye Name: (1R)-N-(4-butylphenyl)-4,4-dimethyl-2-oxo-6-phenethylimino-cyclohexanecarbothioamide CAS Name: (1R)-N-(4-butylphenyl)-4,4-dimethyl-2-oxo-6-phenethylimino-1-cyclohexanecarbothioamide IUPAC Name: (1R)-N-(4-butylphenyl)-4,4-dimethyl-2-oxo-6-phenethyliminocyclohexane-1-carbothioamide Traditional Name: (1R)-N-(4-butylphenyl)-2-keto-4,4-dimethyl-6-phenethylimino-cyclohexanecarbothioamide Formula: C27H34N2OS MolecularWeight: 434.63666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2C(=NCCC3=CC=CC=C3)CC(CC2=O)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)[C@@H]2C(=NCCC3=CC=CC=C3)CC(CC2=O)(C)C

InChI

InChI=1S/C27H34N2OS/c1-4-5-9-21-12-14-22(15-13-21)29-26(31)25-23(18-27(2,3)19-24(25)30)28-17-16-20-10-7-6-8-11-20/h6-8,10-15,25H,4-5,9,16-19H2,1-3H3,(H,29,31)/t25-/m1/s1