2-[3-[[5-(4-cyanophenoxy)-4-oxidanyl-pentan-2-yl]amino]propylsulfanyl]benzamide

Systemtic Name: 2-[3-[[5-(4-cyanophenoxy)-4-oxidanyl-pentan-2-yl]amino]propylsulfanyl]benzamide Openeye Name: 2-[3-[[4-(4-cyanophenoxy)-3-hydroxy-1-methyl-butyl]amino]propylsulfanyl]benzamide CAS Name: 2-[3-[[5-(4-cyanophenoxy)-4-hydroxypentan-2-yl]amino]propylthio]benzamide IUPAC Name: 2-[3-[[5-(4-cyanophenoxy)-4-hydroxypentan-2-yl]amino]propylsulfanyl]benzamide Traditional Name: 2-[3-[[4-(4-cyanophenoxy)-3-hydroxy-1-methyl-butyl]amino]propylthio]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(COC1=CC=C(C=C1)C#N)O)NCCCSC2=CC=CC=C2C(=O)N

Isomeric SMILES

CC(CC(COC1=CC=C(C=C1)C#N)O)NCCCSC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C22H27N3O3S/c1-16(13-18(26)15-28-19-9-7-17(14-23)8-10-19)25-11-4-12-29-21-6-3-2-5-20(21)22(24)27/h2-3,5-10,16,18,25-26H,4,11-13,15H2,1H3,(H2,24,27)