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

Systemtic Name: methyl 2-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-[(2-chloro-4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-[(2-chloro-4-fluoro-benzyl)thio]acetyl]amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17ClFN3O3S3 MolecularWeight: 461.981583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C17H17ClFN3O3S3/c1-9-5-12(16(24)25-2)15(28-9)20-17(26)22-21-14(23)8-27-7-10-3-4-11(19)6-13(10)18/h3-6H,7-8H2,1-2H3,(H,21,23)(H2,20,22,26)