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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC

InChI

InChI=1S/C22H31N3OS/c1-17(2)24-11-13-25(14-12-24)19-5-10-22(18(15-19)16-23-3)26-20-6-8-21(27-4)9-7-20/h5-10,15,17,23H,11-14,16H2,1-4H3