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

Systemtic Name: methyl 3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C20H18N4O6S2/c1-12-10-17(23-30-12)24-32(27,28)16-8-6-15(7-9-16)21-20(31)22-18(25)13-4-3-5-14(11-13)19(26)29-2/h3-11H,1-2H3,(H,23,24)(H2,21,22,25,31)