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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H26N2O3S/c1-27-20-10-6-5-9-18(20)21(25)23-19(12-14-28-2)22(26)24-13-11-16-7-3-4-8-17(16)15-24/h3-10,19H,11-15H2,1-2H3,(H,23,25)