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

Systemtic Name: methyl 5-ethyl-2-[[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[[2-[(4-fluorobenzyl)thio]acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H20FN3O3S3 MolecularWeight: 441.563103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O3S3/c1-3-13-8-14(17(24)25-2)16(28-13)20-18(26)22-21-15(23)10-27-9-11-4-6-12(19)7-5-11/h4-8H,3,9-10H2,1-2H3,(H,21,23)(H2,20,22,26)