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

Systemtic Name: ethyl 5-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H14BrClN2O3S2 MolecularWeight: 461.78096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C

InChI

InChI=1S/C16H14BrClN2O3S2/c1-3-23-15(22)13-8(2)6-12(25-13)19-16(24)20-14(21)10-7-9(17)4-5-11(10)18/h4-7H,3H2,1-2H3,(H2,19,20,21,24)