1-[3-bromanyl-4-(butylamino)phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[3-bromanyl-4-(butylamino)phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[3-bromo-4-(butylamino)phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[3-bromo-4-(butylamino)phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[3-bromo-4-(butylamino)phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[3-bromo-4-(butylamino)phenyl]-2-(4-quinolylthio)ethanone Formula: C21H21BrN2OS MolecularWeight: 429.37324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(=O)CSC2=CC=NC3=CC=CC=C32)Br

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(=O)CSC2=CC=NC3=CC=CC=C32)Br

InChI

InChI=1S/C21H21BrN2OS/c1-2-3-11-23-19-9-8-15(13-17(19)22)20(25)14-26-21-10-12-24-18-7-5-4-6-16(18)21/h4-10,12-13,23H,2-3,11,14H2,1H3