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

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

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