2-[(4-bromophenyl)methyl]-N-(4-methylsulfanyl-1-oxidanyl-butyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: 2-[(4-bromophenyl)methyl]-N-(4-methylsulfanyl-1-oxidanyl-butyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 2-(benzylsulfanylmethyl)-3-(4-bromophenyl)-N-(1-hydroxy-4-methylsulfanyl-butyl)propanamide CAS Name: 2-[(4-bromophenyl)methyl]-N-[1-hydroxy-4-(methylthio)butyl]-3-(phenylmethylthio)propanamide IUPAC Name: 2-(benzylsulfanylmethyl)-3-(4-bromophenyl)-N-(1-hydroxy-4-methylsulfanylbutyl)propanamide Traditional Name: 2-[(benzylthio)methyl]-3-(4-bromophenyl)-N-[1-hydroxy-4-(methylthio)butyl]propionamide Formula: C22H28BrNO2S2 MolecularWeight: 482.49722

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(NC(=O)C(CC1=CC=C(C=C1)Br)CSCC2=CC=CC=C2)O

Isomeric SMILES

CSCCCC(NC(=O)C(CC1=CC=C(C=C1)Br)CSCC2=CC=CC=C2)O

InChI

InChI=1S/C22H28BrNO2S2/c1-27-13-5-8-21(25)24-22(26)19(14-17-9-11-20(23)12-10-17)16-28-15-18-6-3-2-4-7-18/h2-4,6-7,9-12,19,21,25H,5,8,13-16H2,1H3,(H,24,26)