butyl 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-sulfamoylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-2-3-12-25-17(22)13-4-6-14(7-5-13)20-18(26)21-15-8-10-16(11-9-15)27(19,23)24/h4-11H,2-3,12H2,1H3,(H2,19,23,24)(H2,20,21,26)