N-[(2,3-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(3,5-dimethylisoxazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3,5-dimethylisoxazole-4-carbonyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-12-16(13(2)27-21-12)18(24)22-9-6-10-23(22)19(28)20-11-14-7-5-8-15(25-3)17(14)26-4/h5,7-8H,6,9-11H2,1-4H3,(H,20,28)