methyl 2-[[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(5-bromo-2-chloro-benzoyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-bromo-2-chlorobenzoyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromo-2-chloro-benzoyl)amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H15BrClN3O3S2 MolecularWeight: 476.7956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=C(C=CC(=C2)Br)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=C(C=CC(=C2)Br)Cl)C(=O)OC

InChI

InChI=1S/C16H15BrClN3O3S2/c1-3-9-7-11(15(23)24-2)14(26-9)19-16(25)21-20-13(22)10-6-8(17)4-5-12(10)18/h4-7H,3H2,1-2H3,(H,20,22)(H2,19,21,25)