2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-butylphenyl)-6-keto-4,4-dimethyl-2-(piperonylamino)cyclohexene-1-carbothioamide Formula: C27H32N2O3S MolecularWeight: 464.61958

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H32N2O3S/c1-4-5-6-18-7-10-20(11-8-18)29-26(33)25-21(14-27(2,3)15-22(25)30)28-16-19-9-12-23-24(13-19)32-17-31-23/h7-13,28H,4-6,14-17H2,1-3H3,(H,29,33)