N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(4-mesylphenyl)acetyl]-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S2/c1-29-19-7-4-6-17(21(19)30-2)15-23-22(31)25-13-5-12-24(25)20(26)14-16-8-10-18(11-9-16)32(3,27)28/h4,6-11H,5,12-15H2,1-3H3,(H,23,31)