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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-6-keto-4,4-dimethyl-2-(piperonylamino)cyclohexene-1-carbothioamide Formula: C23H23FN2O3S MolecularWeight: 426.503723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H23FN2O3S/c1-23(2)10-17(25-12-14-3-8-19-20(9-14)29-13-28-19)21(18(27)11-23)22(30)26-16-6-4-15(24)5-7-16/h3-9,25H,10-13H2,1-2H3,(H,26,30)