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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2OS/c27-25-11-7-21(8-12-25)19-31-16-14-28-26(30)23-9-5-20(6-10-23)17-29-15-13-22-3-1-2-4-24(22)18-29/h1-12H,13-19H2,(H,28,30)