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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(4-fluorophenyl)methylthio]propyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(4-fluorobenzyl)thio]propyl]benzamide Formula: C27H29FN2OS MolecularWeight: 448.595363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCCSCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCCSCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN2OS/c28-26-12-8-22(9-13-26)20-32-17-3-15-29-27(31)24-10-6-21(7-11-24)18-30-16-14-23-4-1-2-5-25(23)19-30/h1-2,4-13H,3,14-20H2,(H,29,31)