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

Systemtic Name: 3-[[2-[(4-chlorophenyl)methylsulfanylmethyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Openeye Name: 3-[2-[(4-chlorophenyl)methylsulfanylmethyl]-3-methyl-benzofuran-4-yl]oxy-N-(3-pyridylmethyl)propan-1-amine CAS Name: 3-[[2-[[(4-chlorophenyl)methylthio]methyl]-3-methyl-4-benzofuranyl]oxy]-N-(3-pyridinylmethyl)-1-propanamine IUPAC Name: 3-[[2-[(4-chlorophenyl)methylsulfanylmethyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Traditional Name: 3-[2-[[(4-chlorobenzyl)thio]methyl]-3-methyl-benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)amine Formula: C26H27ClN2O2S MolecularWeight: 467.02278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)CSCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)CSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O2S/c1-19-25(18-32-17-20-8-10-22(27)11-9-20)31-24-7-2-6-23(26(19)24)30-14-4-13-29-16-21-5-3-12-28-15-21/h2-3,5-12,15,29H,4,13-14,16-18H2,1H3