N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-28-14-12-20(23-21(25)16-27-19-9-3-2-4-10-19)22(26)24-13-11-17-7-5-6-8-18(17)15-24/h2-10,20H,11-16H2,1H3,(H,23,25)