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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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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=C(C=C4C(=C3)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3OS2/c1-5-18(22(28)27-23-25-17-7-6-15(24)11-19(17)30-23)29-20-10-13(3)16-9-12(2)8-14(4)21(16)26-20/h6-11,18H,5H2,1-4H3,(H,25,27,28)