methyl 2-[[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17ClFN3O3S2 MolecularWeight: 429.916583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)CC2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)CC2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C17H17ClFN3O3S2/c1-3-9-7-11(16(24)25-2)15(27-9)20-17(26)22-21-14(23)8-10-12(18)5-4-6-13(10)19/h4-7H,3,8H2,1-2H3,(H,21,23)(H2,20,22,26)