N-(2-methylquinolin-4-yl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(2-methylquinolin-4-yl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-methyl-4-quinolyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(2-methyl-4-quinolinyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-methylquinolin-4-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(2-methyl-4-quinolyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H17N3O4S/c1-13-12-17(14-6-2-4-8-16(14)21-13)22-19(24)10-11-23-20(25)15-7-3-5-9-18(15)28(23,26)27/h2-9,12H,10-11H2,1H3,(H,21,22,24)