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3-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid

3-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid

Systemtic Name:3-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid
Openeye Name:3-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid
CAS Name:3-methyl-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid
IUPAC Name:3-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid
Traditional Name:3-methyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid
Formula: C12H17N3O4S2
MolecularWeight: 331.41108
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H17N3O4S2/c1-7(2)10(11(16)17)15-12(20)14-8-3-5-9(6-4-8)21(13,18)19/h3-7,10H,1-2H3,(H,16,17)(H2,13,18,19)(H2,14,15,20)


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