methyl 4-[(pyridin-2-ylcarbonylamino)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(pyridin-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: methyl 4-[(pyridine-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(pyridine-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-(picolinamidothiocarbamoylamino)butyric acid methyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC=CC=N1

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC=CC=N1

InChI

InChI=1S/C12H16N4O3S/c1-19-10(17)6-4-8-14-12(20)16-15-11(18)9-5-2-3-7-13-9/h2-3,5,7H,4,6,8H2,1H3,(H,15,18)(H2,14,16,20)