N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropanoyl)pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropanoyl)pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropanoyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1-oxopropyl)-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropanoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-isobutyryl-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O3S/c1-11(2)15(20)18-6-3-7-19(18)16(23)17-9-12-4-5-13-14(8-12)22-10-21-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,23)