methyl 3-(thiophen-2-ylmethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(thiophen-2-ylmethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(2-thienylmethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(thiophen-2-ylmethylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(2-thenylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C15H14N2O3S2 MolecularWeight: 334.41326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=CS2

InChI

InChI=1S/C15H14N2O3S2/c1-20-14(19)11-5-2-4-10(8-11)13(18)17-15(21)16-9-12-6-3-7-22-12/h2-8H,9H2,1H3,(H2,16,17,18,21)