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

Systemtic Name: [2-[6-(tert-butylamino)hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [2-[6-(tert-butylamino)hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[6-(tert-butylamino)hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[6-(tert-butylamino)hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[6-(tert-butylamino)hexylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C25H36N2O5S2 MolecularWeight: 508.69374

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2OS2.C2H2O4/c1-17(2)19-13-12-18(21(26)20-11-10-16-27-20)22(25-19)28-15-9-7-6-8-14-24-23(3,4)5;3-1(4)2(5)6/h10-13,16-17,24H,6-9,14-15H2,1-5H3;(H,3,4)(H,5,6)