ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-sulfamoylbenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H19N3O4S2/c1-2-24-16(21)13-5-7-14(8-6-13)20-17(25)19-11-12-3-9-15(10-4-12)26(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,25)