quinolin-8-yl (1E)-N-[(3-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: quinolin-8-yl (1E)-N-[(3-nitrophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: 8-quinolyl (1E)-N-(3-nitroanilino)-2-oxo-propanimidothioate CAS Name: (1E)-N-(3-nitroanilino)-2-oxopropanimidothioic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl (1E)-N-(3-nitroanilino)-2-oxopropanimidothioate Traditional Name: (1E)-2-keto-N-(3-nitroanilino)thiopropionimidic acid 8-quinolyl ester Formula: C18H14N4O3S MolecularWeight: 366.39376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(=O)/C(=N\NC1=CC(=CC=C1)[N+](=O)[O-])/SC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C18H14N4O3S/c1-12(23)18(21-20-14-7-3-8-15(11-14)22(24)25)26-16-9-2-5-13-6-4-10-19-17(13)16/h2-11,20H,1H3/b21-18+