N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1-quinolyl)butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide Traditional Name: 2-(2-keto-4-methyl-1-quinolyl)-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C22H21N3O2S/c1-4-17(25-18-8-6-5-7-15(18)14(3)12-20(25)26)21(27)24-22-23-16-10-9-13(2)11-19(16)28-22/h5-12,17H,4H2,1-3H3,(H,23,24,27)