N1-[1-(4-hydroxyphenyl)-7-methylsulfanyl-3,4-bis(oxidanyl)heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[1-(4-hydroxyphenyl)-7-methylsulfanyl-3,4-bis(oxidanyl)heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[2,3-dihydroxy-1-[(4-hydroxyphenyl)methyl]-6-methylsulfanyl-hexyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[3,4-dihydroxy-1-(4-hydroxyphenyl)-7-(methylthio)heptan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-7-methylsulfanylheptan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[2,3-dihydroxy-1-(4-hydroxybenzyl)-6-(methylthio)hexyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C29H42N2O5S MolecularWeight: 530.71918

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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(CCCSC)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O5S/c1-5-13-31(14-6-2)29(36)23-17-20(3)16-22(19-23)28(35)30-25(18-21-9-11-24(32)12-10-21)27(34)26(33)8-7-15-37-4/h9-12,16-17,19,25-27,32-34H,5-8,13-15,18H2,1-4H3,(H,30,35)