2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-(piazthiol-4-ylamino)ethyl]thio]cinchoninamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H17N5O2S2/c27-18(23-16-6-3-7-17-20(16)26-30-25-17)11-29-19-10-14(21(28)22-12-8-9-12)13-4-1-2-5-15(13)24-19/h1-7,10,12H,8-9,11H2,(H,22,28)(H,23,27)