3-azanyl-4-(phenylcarbonylcarbamothioyl)thiophene-2-carboxylic acid

Systemtic Name: 3-azanyl-4-(phenylcarbonylcarbamothioyl)thiophene-2-carboxylic acid Openeye Name: 3-amino-4-(benzoylcarbamothioyl)thiophene-2-carboxylic acid CAS Name: 3-amino-4-[benzamido(sulfanylidene)methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-amino-4-(benzoylcarbamothioyl)thiophene-2-carboxylic acid Traditional Name: 3-amino-4-(benzoylthiocarbamoyl)-2-thenoic acid Formula: C13H10N2O3S2 MolecularWeight: 306.3601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)C2=CSC(=C2N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)C2=CSC(=C2N)C(=O)O

InChI

InChI=1S/C13H10N2O3S2/c14-9-8(6-20-10(9)13(17)18)12(19)15-11(16)7-4-2-1-3-5-7/h1-6H,14H2,(H,17,18)(H,15,16,19)