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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(8-methoxy-4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(8-methoxy-4-methyl-2-quinolyl)thio]butyramide Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C22H20ClN3O2S2/c1-4-17(21(27)26-22-24-15-9-8-13(23)11-18(15)30-22)29-19-10-12(2)14-6-5-7-16(28-3)20(14)25-19/h5-11,17H,4H2,1-3H3,(H,24,26,27)