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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbut-2-enoyl)pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbut-2-enoyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-1-oxobut-2-enyl)-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbut-2-enoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3-methylbut-2-enoyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-12(2)8-16(21)19-6-3-7-20(19)17(24)18-10-13-4-5-14-15(9-13)23-11-22-14/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,24)