2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2,6-dimethoxynicotinoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C18H21N5O3S/c1-25-15-7-6-14(16(21-15)26-2)17(24)22-9-4-10-23(22)18(27)20-12-13-5-3-8-19-11-13/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,20,27)