ethanedioic acid; [2-[6-[methyl-(phenylmethyl)amino]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [2-[6-[methyl-(phenylmethyl)amino]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-[benzyl(methyl)amino]hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[6-[methyl-(phenylmethyl)amino]hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[6-[benzyl(methyl)amino]hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[6-[benzyl(methyl)amino]hexylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C29H36N2O5S2 MolecularWeight: 556.73654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H34N2OS2.C2H2O4/c1-21(2)24-16-15-23(26(30)25-14-11-19-31-25)27(28-24)32-18-10-5-4-9-17-29(3)20-22-12-7-6-8-13-22;3-1(4)2(5)6/h6-8,11-16,19,21H,4-5,9-10,17-18,20H2,1-3H3;(H,3,4)(H,5,6)