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

Systemtic Name: N1-[1-[3,5-bis(fluoranyl)phenyl]-6-methylsulfanyl-3,4-bis(oxidanyl)hexan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-[(3,5-difluorophenyl)methyl]-2,3-dihydroxy-5-methylsulfanyl-pentyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-(methylthio)hexan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methylsulfanylhexan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-(3,5-difluorobenzyl)-2,3-dihydroxy-5-(methylthio)pentyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C28H38F2N2O4S MolecularWeight: 536.674126

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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)F)F)C(C(CCSC)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38F2N2O4S/c1-5-8-32(9-6-2)28(36)21-12-18(3)11-20(16-21)27(35)31-24(26(34)25(33)7-10-37-4)15-19-13-22(29)17-23(30)14-19/h11-14,16-17,24-26,33-34H,5-10,15H2,1-4H3,(H,31,35)