N-[4-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]phenyl]acetamide IUPAC Name: N-[4-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]phenyl]acetamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H22N2O2S/c1-14(25-19-9-7-18(8-10-19)21-15(2)23)20(24)22-12-11-16-5-3-4-6-17(16)13-22/h3-10,14H,11-13H2,1-2H3,(H,21,23)