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

Systemtic Name: methyl 4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H17N3O4S2/c1-19-11(16)3-2-8-14-12(20)15-9-4-6-10(7-5-9)21(13,17)18/h4-7H,2-3,8H2,1H3,(H2,13,17,18)(H2,14,15,20)