2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-N-[(2,3-dimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(benzofurazan-5-carbonyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)C3=CC4=NON=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H21N5O4S/c1-27-17-6-3-5-14(18(17)28-2)12-21-20(30)25-10-4-9-24(25)19(26)13-7-8-15-16(11-13)23-29-22-15/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,21,30)