[2-[6-[methyl(phenethyl)amino]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-[6-[methyl(phenethyl)amino]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [6-isopropyl-2-[6-[methyl(phenethyl)amino]hexylsulfanyl]-3-pyridyl]-(2-thienyl)methanone CAS Name: [2-[6-[methyl(phenethyl)amino]hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [2-[6-[methyl(phenethyl)amino]hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [6-isopropyl-2-[6-[methyl(phenethyl)amino]hexylthio]-3-pyridyl]-(2-thienyl)methanone Formula: C28H36N2OS2 MolecularWeight: 480.72824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)CCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2OS2/c1-22(2)25-16-15-24(27(31)26-14-11-21-32-26)28(29-25)33-20-10-5-4-9-18-30(3)19-17-23-12-7-6-8-13-23/h6-8,11-16,21-22H,4-5,9-10,17-20H2,1-3H3