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

Systemtic Name: 3-phenylsulfanyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenylsulfanylpropanamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(phenylthio)propionamide Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S2/c27-24(14-16-30-22-7-3-1-4-8-22)25-21-12-11-19-13-15-26(18-20(19)17-21)31(28,29)23-9-5-2-6-10-23/h1-12,17H,13-16,18H2,(H,25,27)