ethyl 4-[(2-thiophen-2-ylethanoylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-thiophen-2-ylethanoylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(2-thienyl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2-thiophen-2-ylethyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-thiophen-2-ylacetyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(2-thienyl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=CS2

InChI

InChI=1S/C16H17N3O3S2/c1-2-22-15(21)11-5-7-12(8-6-11)17-16(23)19-18-14(20)10-13-4-3-9-24-13/h3-9H,2,10H2,1H3,(H,18,20)(H2,17,19,23)