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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(phenylthio)propanamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(phenylthio)propionamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-15(23)22-11-9-16-7-8-18(13-17(16)14-22)21-20(24)10-12-25-19-5-3-2-4-6-19/h2-8,13H,9-12,14H2,1H3,(H,21,24)