N-(4-bromophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-bromophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-bromophenyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-bromophenyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-bromophenyl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C21H21BrN2OS MolecularWeight: 429.37324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2OS/c1-4-18(21(25)23-16-10-8-15(22)9-11-16)26-19-12-14(3)17-7-5-6-13(2)20(17)24-19/h5-12,18H,4H2,1-3H3,(H,23,25)