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

Systemtic Name: methyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromo-2-furoyl)amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H12BrN3O4S2 MolecularWeight: 418.28608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=C(O2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=C(O2)Br)C(=O)OC

InChI

InChI=1S/C13H12BrN3O4S2/c1-6-5-7(12(19)20-2)11(23-6)15-13(22)17-16-10(18)8-3-4-9(14)21-8/h3-5H,1-2H3,(H,16,18)(H2,15,17,22)