N-[[[3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbonylamino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[[3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbonylamino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[[3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[[3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[[3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[[3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H20N4O4S3 MolecularWeight: 488.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=S)NC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=S)NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H20N4O4S3/c1-13-8-9-17(14(2)11-13)25-32(28,29)16-6-3-5-15(12-16)19(26)23-24-21(30)22-20(27)18-7-4-10-31-18/h3-12,25H,1-2H3,(H,23,26)(H2,22,24,27,30)