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

Systemtic Name: N1-[1-(4-hydroxyphenyl)-6-methylsulfanyl-3,4-bis(oxidanyl)hexan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[2,3-dihydroxy-1-[(4-hydroxyphenyl)methyl]-5-methylsulfanyl-pentyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[3,4-dihydroxy-1-(4-hydroxyphenyl)-6-(methylthio)hexan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-6-methylsulfanylhexan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[2,3-dihydroxy-1-(4-hydroxybenzyl)-5-(methylthio)pentyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C28H40N2O5S MolecularWeight: 516.6926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O5S/c1-5-12-30(13-6-2)28(35)22-16-19(3)15-21(18-22)27(34)29-24(26(33)25(32)11-14-36-4)17-20-7-9-23(31)10-8-20/h7-10,15-16,18,24-26,31-33H,5-6,11-14,17H2,1-4H3,(H,29,34)