N-[2-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S2/c1-29(26,27)18-6-3-2-5-17(18)19(25)23-13-4-14-24(23)20(28)22-12-11-15-7-9-16(21)10-8-15/h2-3,5-10H,4,11-14H2,1H3,(H,22,28)