[2-[6-(dimethylamino)hexylsulfanyl]-6-(2-methylpropyl)pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-(2-methylpropyl)pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-isobutyl-3-pyridyl]-(2-thienyl)methanone CAS Name: [2-[6-(dimethylamino)hexylthio]-6-(2-methylpropyl)-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-(2-methylpropyl)pyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[6-(dimethylamino)hexylthio]-6-isobutyl-3-pyridyl]-(2-thienyl)methanone Formula: C22H32N2OS2 MolecularWeight: 404.63228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C

InChI

InChI=1S/C22H32N2OS2/c1-17(2)16-18-11-12-19(21(25)20-10-9-15-26-20)22(23-18)27-14-8-6-5-7-13-24(3)4/h9-12,15,17H,5-8,13-14,16H2,1-4H3