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

Systemtic Name: 2-bromanyl-N-[1-[3-[methyl-(phenylmethyl)amino]propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[3-[benzyl(methyl)amino]propylcarbamoyl]-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[1-[3-[methyl-(phenylmethyl)amino]propylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[3-[benzyl(methyl)amino]propylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[1-[3-[benzyl(methyl)amino]propylcarbamoyl]-3-(methylthio)propyl]-2-bromo-benzamide Formula: C23H30BrN3O2S MolecularWeight: 492.4722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br)CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br)CC2=CC=CC=C2

InChI

InChI=1S/C23H30BrN3O2S/c1-27(17-18-9-4-3-5-10-18)15-8-14-25-23(29)21(13-16-30-2)26-22(28)19-11-6-7-12-20(19)24/h3-7,9-12,21H,8,13-17H2,1-2H3,(H,25,29)(H,26,28)