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

Systemtic Name: N-(4-butylphenyl)-4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide Openeye Name: 2-(benzylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-butylphenyl)-4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenecarbothioamide IUPAC Name: 2-(benzylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: 2-(benzylamino)-N-(4-butylphenyl)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3

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/h6-8,10-15,27H,4-5,9,16-18H2,1-3H3,(H,28,30)