ethyl 3-[[2-(phenethylcarbamoyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(phenethylcarbamoyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(phenethylcarbamoyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[oxo-(phenethylamino)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(phenethylcarbamoyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(phenethylcarbamoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-2-25-16(23)10-12-20-18(26)22-14-6-13-21(22)17(24)19-11-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,19,24)(H,20,26)