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

Systemtic Name: N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(phenylthio)propanamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(phenylthio)propionamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c28-24(14-16-30-23-9-5-2-6-10-23)26-22-12-11-19-13-15-27(18-21(19)17-22)25(29)20-7-3-1-4-8-20/h1-12,17H,13-16,18H2,(H,26,28)