3-[[3-methyl-2-(phenethylsulfanylmethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine

Systemtic Name: 3-[[3-methyl-2-(phenethylsulfanylmethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Openeye Name: 3-[3-methyl-2-(phenethylsulfanylmethyl)benzofuran-4-yl]oxy-N-(3-pyridylmethyl)propan-1-amine CAS Name: 3-[[3-methyl-2-[(phenethylthio)methyl]-4-benzofuranyl]oxy]-N-(3-pyridinylmethyl)-1-propanamine IUPAC Name: 3-[[3-methyl-2-(phenethylsulfanylmethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Traditional Name: 3-[3-methyl-2-[(phenethylthio)methyl]benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)amine Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)CSCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)CSCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S/c1-21-26(20-32-17-13-22-8-3-2-4-9-22)31-25-12-5-11-24(27(21)25)30-16-7-15-29-19-23-10-6-14-28-18-23/h2-6,8-12,14,18,29H,7,13,15-17,19-20H2,1H3