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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C21H22N4O5S2/c1-3-12-29-20(26)15-4-6-16(7-5-15)22-21(31)23-17-8-10-18(11-9-17)32(27,28)25-19-13-14(2)30-24-19/h4-11,13H,3,12H2,1-2H3,(H,24,25)(H2,22,23,31)