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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranylpyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloropyridine-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloropyridine-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-chloronicotinoyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C18H17ClN4O3S/c19-16-13(3-1-6-20-16)17(24)22-7-2-8-23(22)18(27)21-10-12-4-5-14-15(9-12)26-11-25-14/h1,3-6,9H,2,7-8,10-11H2,(H,21,27)