[2-(aminomethyl)-3-methyl-4-(4-methylsulfanylphenoxy)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

Systemtic Name: [2-(aminomethyl)-3-methyl-4-(4-methylsulfanylphenoxy)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone Openeye Name: [2-(aminomethyl)-3-methyl-4-(4-methylsulfanylphenoxy)phenyl]-(4-morpholino-1-piperidyl)methanone CAS Name: [2-(aminomethyl)-3-methyl-4-[4-(methylthio)phenoxy]phenyl]-[4-(4-morpholinyl)-1-piperidinyl]methanone IUPAC Name: [2-(aminomethyl)-3-methyl-4-(4-methylsulfanylphenoxy)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone Traditional Name: [2-(aminomethyl)-3-methyl-4-[4-(methylthio)phenoxy]phenyl]-(4-morpholinopiperidino)methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CN)C(=O)N2CCC(CC2)N3CCOCC3)OC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(C=CC(=C1CN)C(=O)N2CCC(CC2)N3CCOCC3)OC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H33N3O3S/c1-18-23(17-26)22(7-8-24(18)31-20-3-5-21(32-2)6-4-20)25(29)28-11-9-19(10-12-28)27-13-15-30-16-14-27/h3-8,19H,9-17,26H2,1-2H3