N-(2-hydroxyethyl)-4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)propyl]benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)propyl]benzamide Openeye Name: 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)propyl]-N-(2-hydroxyethyl)benzamide CAS Name: N-(2-hydroxyethyl)-4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]propyl]benzamide IUPAC Name: N-(2-hydroxyethyl)-4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)propyl]benzamide Traditional Name: 4-[3-[2-benzoxy-5-(methylthio)phenyl]propyl]-N-(2-hydroxyethyl)benzamide Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCC3=CC=C(C=C3)C(=O)NCCO

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCC3=CC=C(C=C3)C(=O)NCCO

InChI

InChI=1S/C26H29NO3S/c1-31-24-14-15-25(30-19-21-6-3-2-4-7-21)23(18-24)9-5-8-20-10-12-22(13-11-20)26(29)27-16-17-28/h2-4,6-7,10-15,18,28H,5,8-9,16-17,19H2,1H3,(H,27,29)