N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-oxidanylidenecinnolin-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: 3-(4-ketocinnolin-1-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C19H16N4O2S2/c1-26-19-22-14-7-6-12(10-17(14)27-19)21-18(25)8-9-23-15-5-3-2-4-13(15)16(24)11-20-23/h2-7,10-11H,8-9H2,1H3,(H,21,25)