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

Systemtic Name: 5-methyl-N1-[7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C29H42N2O4S MolecularWeight: 514.71978

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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(CCCSC)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O4S/c1-5-14-31(15-6-2)29(35)24-18-21(3)17-23(20-24)28(34)30-25(19-22-11-8-7-9-12-22)27(33)26(32)13-10-16-36-4/h7-9,11-12,17-18,20,25-27,32-33H,5-6,10,13-16,19H2,1-4H3,(H,30,34)