N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)OC

InChI

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