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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(3-cyanophenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3-cyanophenyl)pyrazolidine-1-carbothioamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NC2=CC=CC(=C2)C#N)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N(C1)C(=S)NC2=CC=CC(=C2)C#N)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N4O3S/c21-12-15-3-1-4-16(9-15)22-20(28)24-8-2-7-23(24)19(25)11-14-5-6-17-18(10-14)27-13-26-17/h1,3-6,9-10H,2,7-8,11,13H2,(H,22,28)