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

Systemtic Name: ethyl 2-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16BrN3O3S3 MolecularWeight: 510.44764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3S3/c1-2-26-18(25)12-10-14(11-6-4-3-5-7-11)29-17(12)21-19(27)23-22-16(24)13-8-9-15(20)28-13/h3-10H,2H2,1H3,(H,22,24)(H2,21,23,27)