2-methylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)nicotinamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-3-11-27(24,25)22-10-8-14-6-7-16(12-15(14)13-22)21-18(23)17-5-4-9-20-19(17)26-2/h4-7,9,12H,3,8,10-11,13H2,1-2H3,(H,21,23)