4-tert-butyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-sulfamoylphenyl)thiocarbamoyl]benzamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

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