methyl N-[[4-fluoranyl-2-(propanoylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-fluoranyl-2-(propanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-fluoro-2-(propanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-fluoro-2-(1-oxopropylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-fluoro-2-(propanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[(4-fluoro-2-propionamido-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C12H14FN3O3S MolecularWeight: 299.321263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)F)NC(=S)NC(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)F)NC(=S)NC(=O)OC

InChI

InChI=1S/C12H14FN3O3S/c1-3-10(17)14-9-6-7(13)4-5-8(9)15-11(20)16-12(18)19-2/h4-6H,3H2,1-2H3,(H,14,17)(H2,15,16,18,20)