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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethanoyl-pyrazolidine-1-carbothioamide Openeye Name: 2-acetyl-N-(1,3-benzodioxol-5-ylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-acetyl-N-(1,3-benzodioxol-5-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-acetyl-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-10(18)16-5-2-6-17(16)14(21)15-8-11-3-4-12-13(7-11)20-9-19-12/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,21)