ethyl 4-[[2-[(2-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(2-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(2-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-[(2-fluorobenzyl)thio]acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H20FN3O3S2 MolecularWeight: 421.508803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2F

InChI

InChI=1S/C19H20FN3O3S2/c1-2-26-18(25)13-7-9-15(10-8-13)21-19(27)23-22-17(24)12-28-11-14-5-3-4-6-16(14)20/h3-10H,2,11-12H2,1H3,(H,22,24)(H2,21,23,27)