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

Systemtic Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-propyl-pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-propyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[6-(dimethylamino)hexylthio]-6-propyl-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-propylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[6-(dimethylamino)hexylthio]-6-propyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C23H32N2O5S2 MolecularWeight: 480.64058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2OS2.C2H2O4/c1-4-10-17-12-13-18(20(24)19-11-9-16-25-19)21(22-17)26-15-8-6-5-7-14-23(2)3;3-1(4)2(5)6/h9,11-13,16H,4-8,10,14-15H2,1-3H3;(H,3,4)(H,5,6)