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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN2OS/c26-23-9-11-24(12-10-23)30-16-14-27-25(29)21-7-5-19(6-8-21)17-28-15-13-20-3-1-2-4-22(20)18-28/h1-12H,13-18H2,(H,27,29)