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

Systemtic Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]methanamine Openeye Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-morpholinobut-1-ynyl)phenyl]methanamine CAS Name: N-methyl-1-[2-[4-(methylthio)phenoxy]-5-[4-(4-morpholinyl)but-1-ynyl]phenyl]methanamine IUPAC Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]methanamine Traditional Name: methyl-[2-[4-(methylthio)phenoxy]-5-(4-morpholinobut-1-ynyl)benzyl]amine Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C#CCCN2CCOCC2)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)C#CCCN2CCOCC2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3