N-(4-butylphenyl)-4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexene-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexene-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexene-1-carbothioamide CAS Name: N-(4-butylphenyl)-4,4-dimethyl-6-oxo-2-(phenethylamino)-1-cyclohexenecarbothioamide IUPAC Name: N-(4-butylphenyl)-4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexene-1-carbothioamide Traditional Name: N-(4-butylphenyl)-6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexene-1-carbothioamide Formula: C27H34N2OS MolecularWeight: 434.63666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCC3=CC=CC=C3

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/h6-8,10-15,28H,4-5,9,16-19H2,1-3H3,(H,29,31)