(4S)-2-(1,3-benzodioxol-5-ylmethylimino)-6-oxidanylidene-N,4-diphenyl-cyclohexane-1-carbothioamide

Systemtic Name: (4S)-2-(1,3-benzodioxol-5-ylmethylimino)-6-oxidanylidene-N,4-diphenyl-cyclohexane-1-carbothioamide Openeye Name: (4S)-2-(1,3-benzodioxol-5-ylmethylimino)-6-oxo-N,4-diphenyl-cyclohexanecarbothioamide CAS Name: (4S)-2-(1,3-benzodioxol-5-ylmethylimino)-6-oxo-N,4-diphenyl-1-cyclohexanecarbothioamide IUPAC Name: (4S)-2-(1,3-benzodioxol-5-ylmethylimino)-6-oxo-N,4-diphenylcyclohexane-1-carbothioamide Traditional Name: (4S)-2-keto-N,4-diphenyl-6-piperonylimino-cyclohexanecarbothioamide Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=NCC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](CC(=O)C(C1=NCC2=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/h1-13,20,26H,14-17H2,(H,29,33)/t20-,26?/m0/s1