2-[(4-aminophenyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-[(4-aminophenyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid Openeye Name: 2-[4-amino-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propanoic acid CAS Name: 2-(4-amino-N-[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]anilino)propanoic acid IUPAC Name: 2-[4-amino-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propanoic acid Traditional Name: 2-[4-amino-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propionic acid Formula: C12H13N5O3S2 MolecularWeight: 339.39332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)N)C(=O)NC2=NNC(=S)S2

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)N)C(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C12H13N5O3S2/c1-6(9(18)19)17(8-4-2-7(13)3-5-8)11(20)14-10-15-16-12(21)22-10/h2-6H,13H2,1H3,(H,16,21)(H,18,19)(H,14,15,20)