2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-propyl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-propyl-pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-propyl-pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-propyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-propylpyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-propyl-pyrazolidine-1-carbothioamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCNC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

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