methyl 2-[4-[(pyridin-3-ylcarbonylamino)carbamothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(pyridin-3-ylcarbonylamino)carbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(pyridine-3-carbonylamino)carbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[[oxo(3-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(pyridine-3-carbonylamino)carbamothioylamino]phenyl]acetate Traditional Name: 2-[4-(nicotinamidothiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H16N4O3S/c1-23-14(21)9-11-4-6-13(7-5-11)18-16(24)20-19-15(22)12-3-2-8-17-10-12/h2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,24)