methyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H15N3O5S2 MolecularWeight: 345.3946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H15N3O5S2/c1-20-11(17)7-6-10(16)15-12(21)14-8-2-4-9(5-3-8)22(13,18)19/h2-5H,6-7H2,1H3,(H2,13,18,19)(H2,14,15,16,21)