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

Systemtic Name: methyl 2-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-[(2-chloro-4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[[2-[(2-chloro-4-fluoro-benzyl)thio]acetyl]amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19ClFN3O3S3 MolecularWeight: 476.008163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C18H19ClFN3O3S3/c1-3-12-7-13(17(25)26-2)16(29-12)21-18(27)23-22-15(24)9-28-8-10-4-5-11(20)6-14(10)19/h4-7H,3,8-9H2,1-2H3,(H,22,24)(H2,21,23,27)