3-(4-cyanophenoxy)-4-(ethylamino)-5-(2-oxidanylpropyl)-2-propylsulfanyl-benzamide

Systemtic Name: 3-(4-cyanophenoxy)-4-(ethylamino)-5-(2-oxidanylpropyl)-2-propylsulfanyl-benzamide Openeye Name: 3-(4-cyanophenoxy)-4-(ethylamino)-5-(2-hydroxypropyl)-2-propylsulfanyl-benzamide CAS Name: 3-(4-cyanophenoxy)-4-(ethylamino)-5-(2-hydroxypropyl)-2-(propylthio)benzamide IUPAC Name: 3-(4-cyanophenoxy)-4-(ethylamino)-5-(2-hydroxypropyl)-2-propylsulfanylbenzamide Traditional Name: 3-(4-cyanophenoxy)-4-(ethylamino)-5-(2-hydroxypropyl)-2-(propylthio)benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(C=C1C(=O)N)CC(C)O)NCC)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCSC1=C(C(=C(C=C1C(=O)N)CC(C)O)NCC)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H27N3O3S/c1-4-10-29-21-18(22(24)27)12-16(11-14(3)26)19(25-5-2)20(21)28-17-8-6-15(13-23)7-9-17/h6-9,12,14,25-26H,4-5,10-11H2,1-3H3,(H2,24,27)