N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-[4-(isopropylthio)phenyl]acetamide Formula: C26H30N2OS2 MolecularWeight: 450.6592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H30N2OS2/c1-19(2)31-24-9-7-20(8-10-24)15-26(29)27-16-25(23-12-14-30-18-23)28-13-11-21-5-3-4-6-22(21)17-28/h3-10,12,14,18-19,25H,11,13,15-17H2,1-2H3,(H,27,29)