2-[3-[[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-ethyl-amino]propylsulfanyl]benzamide

Systemtic Name: 2-[3-[[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-ethyl-amino]propylsulfanyl]benzamide Openeye Name: 2-[3-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]-ethyl-amino]propylsulfanyl]benzamide CAS Name: 2-[3-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]propylthio]benzamide IUPAC Name: 2-[3-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]propylsulfanyl]benzamide Traditional Name: 2-[3-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]-ethyl-amino]propylthio]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCSC1=CC=CC=C1C(=O)N)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCN(CCCSC1=CC=CC=C1C(=O)N)CC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C22H27N3O3S/c1-2-25(12-5-13-29-21-7-4-3-6-20(21)22(24)27)15-18(26)16-28-19-10-8-17(14-23)9-11-19/h3-4,6-11,18,26H,2,5,12-13,15-16H2,1H3,(H2,24,27)