2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-(piazthiol-4-ylamino)ethyl]thio]cinchoninamide Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=CC4=NSN=C43)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=CC4=NSN=C43)C(=O)N

InChI

InChI=1S/C18H13N5O2S2/c19-18(25)11-8-16(21-12-5-2-1-4-10(11)12)26-9-15(24)20-13-6-3-7-14-17(13)23-27-22-14/h1-8H,9H2,(H2,19,25)(H,20,24)