N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(2-benzoyl-4-bromo-phenyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(2-benzoyl-4-bromophenyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(2-benzoyl-4-bromo-phenyl)-4-(p-tolylthio)butyramide Formula: C24H22BrNO2S MolecularWeight: 468.40598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22BrNO2S/c1-17-9-12-20(13-10-17)29-15-5-8-23(27)26-22-14-11-19(25)16-21(22)24(28)18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,26,27)