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

Systemtic Name: [2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine Openeye Name: [5-[(4-isopropylpiperazin-1-yl)methyl]-2-(4-methylsulfanylphenoxy)phenyl]methanamine CAS Name: [2-[4-(methylthio)phenoxy]-5-[(4-propan-2-yl-1-piperazinyl)methyl]phenyl]methanamine IUPAC Name: [2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine Traditional Name: [5-[(4-isopropylpiperazino)methyl]-2-[4-(methylthio)phenoxy]benzyl]amine Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3OS/c1-17(2)25-12-10-24(11-13-25)16-18-4-9-22(19(14-18)15-23)26-20-5-7-21(27-3)8-6-20/h4-9,14,17H,10-13,15-16,23H2,1-3H3