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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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