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

Systemtic Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine Openeye Name: 1-[5-[(4-isopropylpiperazin-1-yl)methyl]-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine CAS Name: N-methyl-1-[2-[4-(methylthio)phenoxy]-5-[(4-propan-2-yl-1-piperazinyl)methyl]phenyl]methanamine IUPAC Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine Traditional Name: [5-[(4-isopropylpiperazino)methyl]-2-[4-(methylthio)phenoxy]benzyl]-methyl-amine Formula: C23H33N3OS MolecularWeight: 399.59262

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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)CNC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3OS/c1-18(2)26-13-11-25(12-14-26)17-19-5-10-23(20(15-19)16-24-3)27-21-6-8-22(28-4)9-7-21/h5-10,15,18,24H,11-14,16-17H2,1-4H3