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

Systemtic Name: 5-methyl-N1-[6-methylsulfanyl-3,4-bis(oxidanyl)-1-pyridin-4-yl-hexan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[2,3-dihydroxy-5-methylsulfanyl-1-(4-pyridylmethyl)pentyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[3,4-dihydroxy-6-(methylthio)-1-pyridin-4-ylhexan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-6-methylsulfanyl-1-pyridin-4-ylhexan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[2,3-dihydroxy-5-(methylthio)-1-(4-pyridylmethyl)pentyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O4S/c1-5-12-30(13-6-2)27(34)22-16-19(3)15-21(18-22)26(33)29-23(17-20-7-10-28-11-8-20)25(32)24(31)9-14-35-4/h7-8,10-11,15-16,18,23-25,31-32H,5-6,9,12-14,17H2,1-4H3,(H,29,33)