ethyl 3-[[2-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[oxo-(3,4,5-trimethoxyanilino)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C19H28N4O6S/c1-5-29-16(24)7-8-20-19(30)23-10-6-9-22(23)18(25)21-13-11-14(26-2)17(28-4)15(12-13)27-3/h11-12H,5-10H2,1-4H3,(H,20,30)(H,21,25)