2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 2-(methylthio)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-methylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-(methylthio)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H22N2O2S/c1-3-19(23)22-11-10-14-8-9-16(12-15(14)13-22)21-20(24)17-6-4-5-7-18(17)25-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)