N-methyl-1-[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]methanamine

Systemtic Name: N-methyl-1-[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]methanamine Openeye Name: N-methyl-1-[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-(4-morpholinobut-1-ynyl)phenyl]methanamine CAS Name: N-methyl-1-[2-[3-methyl-4-(methylthio)phenoxy]-5-[4-(4-morpholinyl)but-1-ynyl]phenyl]methanamine IUPAC Name: N-methyl-1-[2-(3-methyl-4-methylsulfanylphenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]methanamine Traditional Name: methyl-[2-[3-methyl-4-(methylthio)phenoxy]-5-(4-morpholinobut-1-ynyl)benzyl]amine Formula: C24H30N2O2S MolecularWeight: 410.5722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C#CCCN3CCOCC3)CNC)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C#CCCN3CCOCC3)CNC)SC

InChI

InChI=1S/C24H30N2O2S/c1-19-16-22(8-10-24(19)29-3)28-23-9-7-20(17-21(23)18-25-2)6-4-5-11-26-12-14-27-15-13-26/h7-10,16-17,25H,5,11-15,18H2,1-3H3