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

Systemtic Name: methyl 2-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21ClFN3O3S3 MolecularWeight: 490.034743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O3S3/c1-4-13-10(2)30-17(16(13)18(26)27-3)22-19(28)24-23-15(25)9-29-8-11-5-6-12(21)7-14(11)20/h5-7H,4,8-9H2,1-3H3,(H,23,25)(H2,22,24,28)