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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-cyclopropyl-pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-cyclopropyl-pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-cyclopropyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-cyclopropylpyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-cyclopropyl-pyrazolidine-1-carbothioamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NC2CC2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N(C1)C(=S)NC2CC2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N3O3S/c20-15(9-11-2-5-13-14(8-11)22-10-21-13)18-6-1-7-19(18)16(23)17-12-3-4-12/h2,5,8,12H,1,3-4,6-7,9-10H2,(H,17,23)