N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]caprylamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3S2/c1-2-3-4-5-9-12-22(27)26-23(30)25-20-13-15-21(16-14-20)31(28,29)24-18-17-19-10-7-6-8-11-19/h6-8,10-11,13-16,24H,2-5,9,12,17-18H2,1H3,(H2,25,26,27,30)