ethyl 4-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(2-chloro-4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-[(2-chloro-4-fluoro-benzyl)thio]acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19ClFN3O3S2 MolecularWeight: 455.953863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C19H19ClFN3O3S2/c1-2-27-18(26)12-4-7-15(8-5-12)22-19(28)24-23-17(25)11-29-10-13-3-6-14(21)9-16(13)20/h3-9H,2,10-11H2,1H3,(H,23,25)(H2,22,24,28)