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

Systemtic Name: ethyl 2-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18BrN3O3S3 MolecularWeight: 524.47422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H18BrN3O3S3/c1-3-27-19(26)16-15(12-7-5-4-6-8-12)11(2)29-18(16)22-20(28)24-23-17(25)13-9-10-14(21)30-13/h4-10H,3H2,1-2H3,(H,23,25)(H2,22,24,28)