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

Systemtic Name: methyl 4-ethyl-2-[[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[[2-[(4-fluorobenzyl)thio]acetyl]amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O3S3 MolecularWeight: 455.589683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3S3/c1-4-14-11(2)29-17(16(14)18(25)26-3)21-19(27)23-22-15(24)10-28-9-12-5-7-13(20)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,22,24)(H2,21,23,27)