N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(3-pyridyl)piperidine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-pyridin-3-ylpiperidine-1-carbothioyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(3-pyridyl)piperidine-1-carbothioyl]-piperonylamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O3S/c23-18(13-6-7-16-17(10-13)25-12-24-16)21-19(26)22-9-2-1-5-15(22)14-4-3-8-20-11-14/h3-4,6-8,10-11,15H,1-2,5,9,12H2,(H,21,23,26)