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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN3O2S/c1-3-27(18-10-5-4-6-11-18)16-9-15-25-23(29)21(14-17-30-2)26-22(28)19-12-7-8-13-20(19)24/h4-8,10-13,21H,3,9,14-17H2,1-2H3,(H,25,29)(H,26,28)