2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-homoveratryl-pyrazolidine-1-carbothioamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H27N3O5S/c1-28-18-6-4-16(12-20(18)29-2)8-9-24-23(32)26-11-3-10-25(26)22(27)14-17-5-7-19-21(13-17)31-15-30-19/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,24,32)