2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[[3-(phenylthiocarbamoylamino)phenyl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C23H24N4O3S3 MolecularWeight: 500.65666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O3S3/c1-2-21(22(28)25-17-11-13-20(14-12-17)33(24,29)30)32-19-10-6-9-18(15-19)27-23(31)26-16-7-4-3-5-8-16/h3-15,21H,2H2,1H3,(H,25,28)(H2,24,29,30)(H2,26,27,31)