2-(2-methylsulfonylphenyl)carbonyl-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2-methylsulfonylphenyl)carbonyl-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2-methylsulfonylbenzoyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]-N-(3,4,5-trimethoxyphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2-methylsulfonylbenzoyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H25N3O6S2/c1-28-16-12-14(13-17(29-2)19(16)30-3)22-21(31)24-11-7-10-23(24)20(25)15-8-5-6-9-18(15)32(4,26)27/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,22,31)