3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanoic acid Openeye Name: 3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanoic acid CAS Name: 3-phenyl-2-[[sulfanylidene-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanoic acid IUPAC Name: 3-phenyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioylamino]propanoic acid Traditional Name: 3-phenyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thiocarbamoylamino]propionic acid Formula: C12H12N4O2S3 MolecularWeight: 340.44428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S3/c17-9(18)8(6-7-4-2-1-3-5-7)13-10(19)14-11-15-16-12(20)21-11/h1-5,8H,6H2,(H,16,20)(H,17,18)(H2,13,14,15,19)