N-[[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

Systemtic Name: N-[[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine Openeye Name: N-[[5-[(4-isopropylpiperazin-1-yl)methyl]-2-(4-methylsulfanylphenoxy)phenyl]methyl]cyclopropanamine CAS Name: N-[[2-[4-(methylthio)phenoxy]-5-[(4-propan-2-yl-1-piperazinyl)methyl]phenyl]methyl]cyclopropanamine IUPAC Name: N-[[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine Traditional Name: cyclopropyl-[5-[(4-isopropylpiperazino)methyl]-2-[4-(methylthio)phenoxy]benzyl]amine Formula: C25H35N3OS MolecularWeight: 425.6299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC4CC4

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC4CC4

InChI

InChI=1S/C25H35N3OS/c1-19(2)28-14-12-27(13-15-28)18-20-4-11-25(21(16-20)17-26-22-5-6-22)29-23-7-9-24(30-3)10-8-23/h4,7-11,16,19,22,26H,5-6,12-15,17-18H2,1-3H3