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

Systemtic Name: N-[[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine Openeye Name: N-[[5-[(4-isopropylpiperazin-1-yl)methyl]-2-(4-methylsulfanylphenoxy)phenyl]methyl]ethanamine CAS Name: N-[[2-[4-(methylthio)phenoxy]-5-[(4-propan-2-yl-1-piperazinyl)methyl]phenyl]methyl]ethanamine IUPAC Name: N-[[2-(4-methylsulfanylphenoxy)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine Traditional Name: ethyl-[5-[(4-isopropylpiperazino)methyl]-2-[4-(methylthio)phenoxy]benzyl]amine Formula: C24H35N3OS MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)CN2CCN(CC2)C(C)C)OC3=CC=C(C=C3)SC

Isomeric SMILES

CCNCC1=C(C=CC(=C1)CN2CCN(CC2)C(C)C)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H35N3OS/c1-5-25-17-21-16-20(18-26-12-14-27(15-13-26)19(2)3)6-11-24(21)28-22-7-9-23(29-4)10-8-22/h6-11,16,19,25H,5,12-15,17-18H2,1-4H3