methyl 4-(2-thiophen-2-ylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-thiophen-2-ylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-[2-(2-thienyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-thiophen-2-ylethylcarbamothioylamino)benzoate Traditional Name: 4-[2-(2-thienyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CS2

InChI

InChI=1S/C15H16N2O2S2/c1-19-14(18)11-4-6-12(7-5-11)17-15(20)16-9-8-13-3-2-10-21-13/h2-7,10H,8-9H2,1H3,(H2,16,17,20)