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

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

CCCCNCCCCCCSC1=C(C=CC(=N1)C(C)C)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCCCCSC1=C(C=CC(=N1)C(C)C)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

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