ethyl 4-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(5-bromothiophene-2-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H14BrN3O3S2 MolecularWeight: 428.32396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H14BrN3O3S2/c1-2-22-14(21)9-3-5-10(6-4-9)17-15(23)19-18-13(20)11-7-8-12(16)24-11/h3-8H,2H2,1H3,(H,18,20)(H2,17,19,23)