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

Systemtic Name: 2-(4-propan-2-ylsulfanylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-[4-(propan-2-ylthio)phenyl]-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)SC(C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)SC(C)C

InChI

InChI=1S/C23H30N2O3S2/c1-4-13-30(27,28)25-12-11-19-7-8-21(15-20(19)16-25)24-23(26)14-18-5-9-22(10-6-18)29-17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,24,26)