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

Systemtic Name: N1-[7-methylsulfanyl-3,4-bis(oxidanyl)-1-pyridin-4-yl-heptan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[2,3-dihydroxy-6-methylsulfanyl-1-(4-pyridylmethyl)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[3,4-dihydroxy-7-(methylthio)-1-pyridin-4-ylheptan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-7-methylsulfanyl-1-pyridin-4-ylheptan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[2,3-dihydroxy-6-(methylthio)-1-(4-pyridylmethyl)hexyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C28H40N4O5S MolecularWeight: 544.706

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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(CCCSC)O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O5S/c1-4-12-32(13-5-2)28(37)22-17-20(26(29)35)16-21(18-22)27(36)31-23(15-19-8-10-30-11-9-19)25(34)24(33)7-6-14-38-3/h8-11,16-18,23-25,33-34H,4-7,12-15H2,1-3H3,(H2,29,35)(H,31,36)