4-(phenylcarbamothioylamino)phthalic acid

Systemtic Name: 4-(phenylcarbamothioylamino)phthalic acid Openeye Name: 4-(phenylcarbamothioylamino)phthalic acid CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]phthalic acid IUPAC Name: 4-(phenylcarbamothioylamino)phthalic acid Traditional Name: 4-(phenylthiocarbamoylamino)phthalic 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(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

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