ethyl 3-(2-thiophen-2-ylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(2-thiophen-2-ylethylcarbamothioylamino)benzoate Openeye Name: ethyl 3-[2-(2-thienyl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-thiophen-2-ylethylcarbamothioylamino)benzoate Traditional Name: 3-[2-(2-thienyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=CS2

InChI

InChI=1S/C16H18N2O2S2/c1-2-20-15(19)12-5-3-6-13(11-12)18-16(21)17-9-8-14-7-4-10-22-14/h3-7,10-11H,2,8-9H2,1H3,(H2,17,18,21)