4-(thiophen-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate Openeye Name: 4-(2-thienylmethylcarbamothioylamino)benzoate CAS Name: 4-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]benzoate IUPAC Name: 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(2-thenylthiocarbamoylamino)benzoate Formula: C13H11N2O2S2- MolecularWeight: 291.36864

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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)/p-1