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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(2-fluorophenyl)methylthio]propyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[(2-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=CC=C4F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCCSCC4=CC=CC=C4F

InChI

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