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

Systemtic Name: ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[[(2,3-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(o-veratrylthiocarbamoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C19H28N4O4S2/c1-4-27-16(24)9-10-20-18(28)22-11-6-12-23(22)19(29)21-13-14-7-5-8-15(25-2)17(14)26-3/h5,7-8H,4,6,9-13H2,1-3H3,(H,20,28)(H,21,29)