3-(1,3-benzodioxol-5-ylmethylidene)-N-phenyl-2-piperidin-1-yl-cyclopentene-1-carbothioamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylidene)-N-phenyl-2-piperidin-1-yl-cyclopentene-1-carbothioamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylene)-N-phenyl-2-(1-piperidyl)cyclopentene-1-carbothioamide CAS Name: 3-(1,3-benzodioxol-5-ylmethylidene)-N-phenyl-2-(1-piperidinyl)-1-cyclopentenecarbothioamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylidene)-N-phenyl-2-piperidin-1-ylcyclopentene-1-carbothioamide Traditional Name: N-phenyl-2-piperidino-3-piperonylidene-cyclopentene-1-carbothioamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(CCC2=CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(CCC2=CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C25H26N2O2S/c30-25(26-20-7-3-1-4-8-20)21-11-10-19(24(21)27-13-5-2-6-14-27)15-18-9-12-22-23(16-18)29-17-28-22/h1,3-4,7-9,12,15-16H,2,5-6,10-11,13-14,17H2,(H,26,30)