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

Systemtic Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanamine Openeye Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-[4-(4-pyridyl)piperazin-1-yl]phenyl]methanamine CAS Name: N-methyl-1-[2-[4-(methylthio)phenoxy]-5-(4-pyridin-4-yl-1-piperazinyl)phenyl]methanamine IUPAC Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanamine Traditional Name: methyl-[2-[4-(methylthio)phenoxy]-5-[4-(4-pyridyl)piperazino]benzyl]amine Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=NC=C3)OC4=CC=C(C=C4)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=NC=C3)OC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H28N4OS/c1-25-18-19-17-21(3-8-24(19)29-22-4-6-23(30-2)7-5-22)28-15-13-27(14-16-28)20-9-11-26-12-10-20/h3-12,17,25H,13-16,18H2,1-2H3