ethyl 4-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C

InChI

InChI=1S/C21H22N4O5S2/c1-4-29-20(26)15-5-7-16(8-6-15)22-21(31)23-17-9-11-18(12-10-17)32(27,28)25-19-13(2)14(3)24-30-19/h5-12,25H,4H2,1-3H3,(H2,22,23,31)