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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3OS2/c1-3-17(27-19-10-12(2)14-6-4-5-7-15(14)23-19)20(26)25-21-24-16-9-8-13(22)11-18(16)28-21/h4-11,17H,3H2,1-2H3,(H,24,25,26)