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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)NC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O3S/c1-11(2)17-16(23)19-7-3-6-18(19)15(20)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)