4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(m-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(3-methylphenyl)methylthio]ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(3-methylbenzyl)thio]ethyl]benzamide Formula: C27H30N2OS MolecularWeight: 430.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H30N2OS/c1-21-5-4-6-23(17-21)20-31-16-14-28-27(30)25-11-9-22(10-12-25)18-29-15-13-24-7-2-3-8-26(24)19-29/h2-12,17H,13-16,18-20H2,1H3,(H,28,30)