N-[3,5-bis(chloranyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3,5-dichlorophenyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3,5-dichlorophenyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3,5-dichlorophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3,5-dichlorophenyl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C21H20Cl2N2OS MolecularWeight: 419.3673

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C21H20Cl2N2OS/c1-4-18(21(26)24-16-10-14(22)9-15(23)11-16)27-19-8-13(3)17-7-5-6-12(2)20(17)25-19/h5-11,18H,4H2,1-3H3,(H,24,26)