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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3OS2/c1-5-18(22(27)26-23-24-17-10-9-13(2)11-19(17)29-23)28-20-12-15(4)16-8-6-7-14(3)21(16)25-20/h6-12,18H,5H2,1-4H3,(H,24,26,27)