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

Systemtic Name: 3-phenylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-phenylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide CAS Name: 3-(phenylthio)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide IUPAC Name: 3-phenylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Traditional Name: 3-(phenylthio)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-2-14-28(25,26)23-12-10-17-8-9-19(15-18(17)16-23)22-21(24)11-13-27-20-6-4-3-5-7-20/h3-9,15H,2,10-14,16H2,1H3,(H,22,24)