3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[3-(methylsulfamoyl)benzyl]propionamide Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CCSCC(=O)N

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H19N3O4S2/c1-15-22(19,20)11-4-2-3-10(7-11)8-16-13(18)5-6-21-9-12(14)17/h2-4,7,15H,5-6,8-9H2,1H3,(H2,14,17)(H,16,18)