N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(5-methylisoxazole-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-methyl-3-isoxazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-methylisoxazole-3-carbonyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C18H22N4O4S/c1-12-10-14(20-26-12)17(23)21-8-5-9-22(21)18(27)19-11-13-6-4-7-15(24-2)16(13)25-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,27)