2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-(3-phenylsulfanylpropylcarbamoyl)propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-[3-(phenylthio)propylamino]butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[3-(phenylthio)propylcarbamoyl]propyl]benzamide Formula: C21H25BrN2O2S2 MolecularWeight: 481.4694

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCSC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)NCCCSC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN2O2S2/c1-27-15-12-19(24-20(25)17-10-5-6-11-18(17)22)21(26)23-13-7-14-28-16-8-3-2-4-9-16/h2-6,8-11,19H,7,12-15H2,1H3,(H,23,26)(H,24,25)