[2-[8-(methylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; propanedioic acid

Systemtic Name: [2-[8-(methylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; propanedioic acid Openeye Name: [6-isopropyl-2-[8-(methylamino)octylsulfanyl]-3-pyridyl]-(2-thienyl)methanone; malonic acid CAS Name: [2-[8-(methylamino)octylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; propanedioic acid IUPAC Name: [2-[8-(methylamino)octylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; propanedioic acid Traditional Name: [6-isopropyl-2-[8-(methylamino)octylthio]-3-pyridyl]-(2-thienyl)methanone; malonic 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)SCCCCCCCCNC.C(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2OS2.C3H4O4/c1-17(2)19-13-12-18(21(25)20-11-10-16-26-20)22(24-19)27-15-9-7-5-4-6-8-14-23-3;4-2(5)1-3(6)7/h10-13,16-17,23H,4-9,14-15H2,1-3H3;1H2,(H,4,5)(H,6,7)