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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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