N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylpyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylpyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylpyridine-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylpyridine-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-methylnicotinoyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CC(=C1)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CN=CC(=C1)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N4O3S/c1-13-7-15(11-20-9-13)18(24)22-5-2-6-23(22)19(27)21-10-14-3-4-16-17(8-14)26-12-25-16/h3-4,7-9,11H,2,5-6,10,12H2,1H3,(H,21,27)