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

Systemtic Name: 2-ethylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-ethylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 2-(ethylthio)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-ethylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-(ethylthio)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC

InChI

InChI=1S/C21H24N2O2S/c1-3-20(24)23-12-11-15-9-10-17(13-16(15)14-23)22-21(25)18-7-5-6-8-19(18)26-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,25)