3-nitro-4-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(3-quinolylamino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(3-quinolinylamino)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(3-quinolylamino)ethyl]thio]-3-nitro-benzamide Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S/c19-18(24)12-5-6-16(15(8-12)22(25)26)27-10-17(23)21-13-7-11-3-1-2-4-14(11)20-9-13/h1-9H,10H2,(H2,19,24)(H,21,23)