diethyl 5-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(5-bromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(5-bromothiophene-2-carbonyl)amino]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18BrN3O5S3 MolecularWeight: 520.44092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H18BrN3O5S3/c1-4-25-15(23)11-8(3)12(16(24)26-5-2)29-14(11)19-17(27)21-20-13(22)9-6-7-10(18)28-9/h6-7H,4-5H2,1-3H3,(H,20,22)(H2,19,21,27)