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

Systemtic Name: ethyl 2-[[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[[2-[(4-fluorobenzyl)thio]acetyl]amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24FN3O3S3 MolecularWeight: 517.659063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C24H24FN3O3S3/c1-3-31-23(30)21-20(17-7-5-4-6-8-17)15(2)34-22(21)26-24(32)28-27-19(29)14-33-13-16-9-11-18(25)12-10-16/h4-12H,3,13-14H2,1-2H3,(H,27,29)(H2,26,28,32)