N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(phenylsulfamoyl)phenyl]thiocarbamoyl]valeramide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S2/c1-2-3-9-17(22)20-18(25)19-14-10-12-16(13-11-14)26(23,24)21-15-7-5-4-6-8-15/h4-8,10-13,21H,2-3,9H2,1H3,(H2,19,20,22,25)