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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxo-N-phenyl-cyclohexene-1-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexenecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide Traditional Name: 6-keto-4,4-dimethyl-N-phenyl-2-(piperonylamino)cyclohexene-1-carbothioamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-23(2)11-17(24-13-15-8-9-19-20(10-15)28-14-27-19)21(18(26)12-23)22(29)25-16-6-4-3-5-7-16/h3-10,24H,11-14H2,1-2H3,(H,25,29)