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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C23H29N3O5S2/c1-30-20-10-7-18(15-21(20)31-2)11-12-24-23(32)26-14-4-13-25(26)22(27)16-17-5-8-19(9-6-17)33(3,28)29/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,32)