2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2-chloranyl-4-methyl-phenyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2-chloranyl-4-methyl-phenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-chloro-4-methyl-phenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(2-chloro-4-methylphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-chloro-4-methylphenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-chloro-4-methyl-phenyl)pyrazolidine-1-carbothioamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-13-3-5-16(15(21)9-13)22-20(28)24-8-2-7-23(24)19(25)11-14-4-6-17-18(10-14)27-12-26-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,22,28)