N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-28-17-10-6-8-15(19(17)29-2)14-22-21(30)24-13-7-12-23(24)20(25)16-9-4-5-11-18(16)31(3,26)27/h4-6,8-11H,7,12-14H2,1-3H3,(H,22,30)