ethyl 3-[(pyridin-4-ylcarbonylamino)carbamothioylamino]propanoate

Systemtic Name: ethyl 3-[(pyridin-4-ylcarbonylamino)carbamothioylamino]propanoate Openeye Name: ethyl 3-[(pyridine-4-carbonylamino)carbamothioylamino]propanoate CAS Name: 3-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(pyridine-4-carbonylamino)carbamothioylamino]propanoate Traditional Name: 3-(isonicotinamidothiocarbamoylamino)propionic acid ethyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)NNC(=O)C1=CC=NC=C1

Isomeric SMILES

CCOC(=O)CCNC(=S)NNC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H16N4O3S/c1-2-19-10(17)5-8-14-12(20)16-15-11(18)9-3-6-13-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,15,18)(H2,14,16,20)