methyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromo-2-furoyl)amino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H16BrN3O4S2 MolecularWeight: 446.33924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C15H16BrN3O4S2/c1-4-8-7(2)25-13(11(8)14(21)22-3)17-15(24)19-18-12(20)9-5-6-10(16)23-9/h5-6H,4H2,1-3H3,(H,18,20)(H2,17,19,24)