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

Systemtic Name: (1S)-N-(4-butylphenyl)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethyl)imino-cyclohexane-1-carbothioamide Openeye Name: (1S)-2-benzylimino-N-(4-butylphenyl)-4,4-dimethyl-6-oxo-cyclohexanecarbothioamide CAS Name: (1S)-N-(4-butylphenyl)-4,4-dimethyl-2-oxo-6-(phenylmethyl)imino-1-cyclohexanecarbothioamide IUPAC Name: (1S)-2-benzylimino-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohexane-1-carbothioamide Traditional Name: (1S)-2-benzylimino-N-(4-butylphenyl)-6-keto-4,4-dimethyl-cyclohexanecarbothioamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2C(=NCC3=CC=CC=C3)CC(CC2=O)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)[C@H]2C(=NCC3=CC=CC=C3)CC(CC2=O)(C)C

InChI

InChI=1S/C26H32N2OS/c1-4-5-9-19-12-14-21(15-13-19)28-25(30)24-22(16-26(2,3)17-23(24)29)27-18-20-10-7-6-8-11-20/h6-8,10-15,24H,4-5,9,16-18H2,1-3H3,(H,28,30)/t24-/m0/s1