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

Systemtic Name: 3-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid CAS Name: 3-methyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Traditional Name: 3-methyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]butyric acid Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H19N3O4S2/c1-8(2)11(12(17)18)16-13(21)15-7-9-3-5-10(6-4-9)22(14,19)20/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,14,19,20)(H2,15,16,21)