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

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propylamino]butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[3-(2-oxoazepan-1-yl)propylcarbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-[3-(2-oxo-1-azepanyl)propylamino]butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoazepan-1-yl)propylamino]butan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[3-(2-ketoazepan-1-yl)propylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H30BrN3O3S MolecularWeight: 484.4502

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCN1CCCCCC1=O)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)NCCCN1CCCCCC1=O)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H30BrN3O3S/c1-29-15-11-18(24-20(27)16-8-4-5-9-17(16)22)21(28)23-12-7-14-25-13-6-2-3-10-19(25)26/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3,(H,23,28)(H,24,27)