4-(thiophen-2-ylmethylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(thiophen-2-ylmethylcarbamothioylamino)benzoic acid Openeye Name: 4-(2-thienylmethylcarbamothioylamino)benzoic acid CAS Name: 4-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]benzoic acid IUPAC Name: 4-(thiophen-2-ylmethylcarbamothioylamino)benzoic acid Traditional Name: 4-(2-thenylthiocarbamoylamino)benzoic acid Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O2S2/c16-12(17)9-3-5-10(6-4-9)15-13(18)14-8-11-2-1-7-19-11/h1-7H,8H2,(H,16,17)(H2,14,15,18)