5-(phenylcarbamothioylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(phenylcarbamothioylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(phenylcarbamothioylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(phenylcarbamothioylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(phenylthiocarbamoylamino)isophthalic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12N2O4S/c18-13(19)9-6-10(14(20)21)8-12(7-9)17-15(22)16-11-4-2-1-3-5-11/h1-8H,(H,18,19)(H,20,21)(H2,16,17,22)