2-methylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[4-(isopropylsulfamoylmethyl)benzyl]-2-(methylthio)nicotinamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H23N3O3S2/c1-13(2)21-26(23,24)12-15-8-6-14(7-9-15)11-20-17(22)16-5-4-10-19-18(16)25-3/h4-10,13,21H,11-12H2,1-3H3,(H,20,22)