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

Systemtic Name: N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]hexanamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-2-3-5-10-20(25)24-21(28)23-18-11-13-19(14-12-18)29(26,27)22-16-15-17-8-6-4-7-9-17/h4,6-9,11-14,22H,2-3,5,10,15-16H2,1H3,(H2,23,24,25,28)