N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[2-[2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: N-[2-[2-(homoveratrylthiocarbamoyl)pyrazolidin-1-yl]-2-keto-ethyl]-2-furamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)CNC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)CNC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C21H26N4O5S/c1-28-16-7-6-15(13-18(16)29-2)8-9-22-21(31)25-11-4-10-24(25)19(26)14-23-20(27)17-5-3-12-30-17/h3,5-7,12-13H,4,8-11,14H2,1-2H3,(H,22,31)(H,23,27)