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

Systemtic Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Openeye Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: N-[2-[(2-chlorophenyl)methylthio]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide IUPAC Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Traditional Name: N-[2-[(2-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=CC=C4Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4Cl

InChI

InChI=1S/C26H27ClN2OS/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)