2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid

Systemtic Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: 2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: 2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C11H15N3O4S2 MolecularWeight: 317.3845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O4S2/c1-7(10(15)16)14-11(19)13-6-8-2-4-9(5-3-8)20(12,17)18/h2-5,7H,6H2,1H3,(H,15,16)(H2,12,17,18)(H2,13,14,19)