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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethylisoxazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3,5-dimethylisoxazole-4-carbonyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O4S/c1-11-16(12(2)26-20-11)17(23)21-6-3-7-22(21)18(27)19-9-13-4-5-14-15(8-13)25-10-24-14/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,19,27)