2-(phenylmethylsulfanyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(phenylmethylthio)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(benzylthio)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide 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)CSCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

InChI

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