[2-[6-[4-(dimethylamino)piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-[6-[4-(dimethylamino)piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-[4-(dimethylamino)-1-piperidyl]hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone CAS Name: [2-[6-[4-(dimethylamino)-1-piperidinyl]hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [2-[6-[4-(dimethylamino)piperidin-1-yl]hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[6-[4-(dimethylamino)piperidino]hexylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone Formula: C26H39N3OS2 MolecularWeight: 473.73736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN3CCC(CC3)N(C)C

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN3CCC(CC3)N(C)C

InChI

InChI=1S/C26H39N3OS2/c1-20(2)23-12-11-22(25(30)24-10-9-19-31-24)26(27-23)32-18-8-6-5-7-15-29-16-13-21(14-17-29)28(3)4/h9-12,19-21H,5-8,13-18H2,1-4H3