ethyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromo-2-furoyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16BrN3O4S2 MolecularWeight: 494.38204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H16BrN3O4S2/c1-2-26-18(25)12-10-14(11-6-4-3-5-7-11)29-17(12)21-19(28)23-22-16(24)13-8-9-15(20)27-13/h3-10H,2H2,1H3,(H,22,24)(H2,21,23,28)