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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

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