2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name: 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoylamino]benzoic acid Openeye Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoylamino]benzoic acid CAS Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoylamino]benzoic acid Traditional Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]butanoylamino]benzoic acid Formula: C13H14N4O3S2 MolecularWeight: 338.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=NN=C(S2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=NN=C(S2)N

InChI

InChI=1S/C13H14N4O3S2/c1-2-9(21-13-17-16-12(14)22-13)10(18)15-8-6-4-3-5-7(8)11(19)20/h3-6,9H,2H2,1H3,(H2,14,16)(H,15,18)(H,19,20)