5-bromanyl-N1-[6-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-bromanyl-N1-[6-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-5-methylsulfanyl-pentyl)-5-bromo-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-bromo-N1-[3,4-dihydroxy-6-(methylthio)-1-phenylhexan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-bromo-1-N-(3,4-dihydroxy-6-methylsulfanyl-1-phenylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2,3-dihydroxy-5-(methylthio)pentyl]-5-bromo-N',N'-dipropyl-isophthalamide Formula: C27H37BrN2O4S MolecularWeight: 565.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCSC)O)O)Br

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCSC)O)O)Br

InChI

InChI=1S/C27H37BrN2O4S/c1-4-12-30(13-5-2)27(34)21-16-20(17-22(28)18-21)26(33)29-23(15-19-9-7-6-8-10-19)25(32)24(31)11-14-35-3/h6-10,16-18,23-25,31-32H,4-5,11-15H2,1-3H3,(H,29,33)