N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine

Systemtic Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine Openeye Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-[4-(1-piperidyl)but-1-ynyl]phenyl]methanamine CAS Name: N-methyl-1-[2-[4-(methylthio)phenoxy]-5-[4-(1-piperidinyl)but-1-ynyl]phenyl]methanamine IUPAC Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine Traditional Name: methyl-[2-[4-(methylthio)phenoxy]-5-(4-piperidinobut-1-ynyl)benzyl]amine Formula: C24H30N2OS MolecularWeight: 394.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C#CCCN2CCCCC2)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)C#CCCN2CCCCC2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H30N2OS/c1-25-19-21-18-20(8-4-7-17-26-15-5-3-6-16-26)9-14-24(21)27-22-10-12-23(28-2)13-11-22/h9-14,18,25H,3,5-7,15-17,19H2,1-2H3