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

Systemtic Name: methyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H14BrN3O4S2 MolecularWeight: 480.35546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O4S2/c1-25-17(24)11-9-13(10-5-3-2-4-6-10)28-16(11)20-18(27)22-21-15(23)12-7-8-14(19)26-12/h2-9H,1H3,(H,21,23)(H2,20,22,27)