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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-oxidanylidene-N,4-diphenyl-cyclohexene-1-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-oxo-N,4-diphenyl-cyclohexene-1-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-oxo-N,4-diphenyl-1-cyclohexenecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-oxo-N,4-diphenylcyclohexene-1-carbothioamide Traditional Name: 6-keto-N,4-diphenyl-2-(piperonylamino)cyclohexene-1-carbothioamide Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1NCC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C(=C1NCC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3S/c30-23-15-20(19-7-3-1-4-8-19)14-22(26(23)27(33)29-21-9-5-2-6-10-21)28-16-18-11-12-24-25(13-18)32-17-31-24/h1-13,20,28H,14-17H2,(H,29,33)