ethyl 2-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-[(2-chloro-4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-[(2-chloro-4-fluoro-benzyl)thio]acetyl]amino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23ClFN3O3S3 MolecularWeight: 504.061323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl)C

InChI

InChI=1S/C20H23ClFN3O3S3/c1-4-14-11(3)31-18(17(14)19(27)28-5-2)23-20(29)25-24-16(26)10-30-9-12-6-7-13(22)8-15(12)21/h6-8H,4-5,9-10H2,1-3H3,(H,24,26)(H2,23,25,29)