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

Systemtic Name: ethanedioic acid; [6-propan-2-yl-2-[6-(propan-2-ylamino)hexylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [6-isopropyl-2-[6-(isopropylamino)hexylsulfanyl]-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; [6-propan-2-yl-2-[6-(propan-2-ylamino)hexylthio]-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: oxalic acid; [6-propan-2-yl-2-[6-(propan-2-ylamino)hexylsulfanyl]pyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [6-isopropyl-2-[6-(isopropylamino)hexylthio]-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C24H34N2O5S2 MolecularWeight: 494.66716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCNC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCNC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H32N2OS2.C2H2O4/c1-16(2)19-12-11-18(21(25)20-10-9-15-26-20)22(24-19)27-14-8-6-5-7-13-23-17(3)4;3-1(4)2(5)6/h9-12,15-17,23H,5-8,13-14H2,1-4H3;(H,3,4)(H,5,6)