ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(homoveratrylthiocarbamoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H30N4O4S2 MolecularWeight: 454.6066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H30N4O4S2/c1-4-28-18(25)9-11-22-20(30)24-13-5-12-23(24)19(29)21-10-8-15-6-7-16(26-2)17(14-15)27-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,21,29)(H,22,30)