N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C22H20ClN3OS2 MolecularWeight: 441.9967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C22H20ClN3OS2/c1-4-17(21(27)26-22-24-16-9-8-14(23)11-18(16)29-22)28-19-10-13(3)15-7-5-6-12(2)20(15)25-19/h5-11,17H,4H2,1-3H3,(H,24,26,27)