[6-tert-butyl-2-[6-(dimethylamino)hexylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [6-tert-butyl-2-[6-(dimethylamino)hexylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [6-tert-butyl-2-[6-(dimethylamino)hexylsulfanyl]-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [6-tert-butyl-2-[6-(dimethylamino)hexylthio]-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [6-tert-butyl-2-[6-(dimethylamino)hexylsulfanyl]pyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [6-tert-butyl-2-[6-(dimethylamino)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)(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2OS2.C2H2O4/c1-22(2,3)19-13-12-17(20(25)18-11-10-16-26-18)21(23-19)27-15-9-7-6-8-14-24(4)5;3-1(4)2(5)6/h10-13,16H,6-9,14-15H2,1-5H3;(H,3,4)(H,5,6)