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

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C25H26N4O4S3 MolecularWeight: 542.69334

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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=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4S3/c1-3-23(24(31)27-18-11-13-22(14-12-18)36(26,32)33)35-21-6-4-5-20(15-21)29-25(34)28-19-9-7-17(8-10-19)16(2)30/h4-15,23H,3H2,1-2H3,(H,27,31)(H2,26,32,33)(H2,28,29,34)