2-bromanyl-N-[1-[3-[methyl(phenyl)amino]propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[3-[methyl(phenyl)amino]propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[3-(N-methylanilino)propylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[3-(N-methylanilino)propylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[3-(N-methylanilino)propylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[3-(N-methylanilino)propylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H28BrN3O2S MolecularWeight: 478.44562

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br)C2=CC=CC=C2

InChI

InChI=1S/C22H28BrN3O2S/c1-26(17-9-4-3-5-10-17)15-8-14-24-22(28)20(13-16-29-2)25-21(27)18-11-6-7-12-19(18)23/h3-7,9-12,20H,8,13-16H2,1-2H3,(H,24,28)(H,25,27)