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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(2-fluorobenzyl)thio]ethyl]benzamide Formula: C26H27FN2OS MolecularWeight: 434.568783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4F

InChI

InChI=1S/C26H27FN2OS/c27-25-8-4-3-7-24(25)19-31-16-14-28-26(30)22-11-9-20(10-12-22)17-29-15-13-21-5-1-2-6-23(21)18-29/h1-12H,13-19H2,(H,28,30)