3-phenylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide

Systemtic Name: 3-phenylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-phenylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(phenylthio)propanamide IUPAC Name: 3-phenylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Traditional Name: 3-(phenylthio)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide 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)CCSC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-2-21(25)23-12-10-16-8-9-18(14-17(16)15-23)22-20(24)11-13-26-19-6-4-3-5-7-19/h3-9,14H,2,10-13,15H2,1H3,(H,22,24)