tert-butyl N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]carbamate Openeye Name: tert-butyl N-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]carbamate CAS Name: N-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-chloro-4-fluorophenyl)carbamothioylamino]carbamate Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C12H15ClFN3O2S MolecularWeight: 319.782803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C12H15ClFN3O2S/c1-12(2,3)19-11(18)17-16-10(20)15-7-4-5-9(14)8(13)6-7/h4-6H,1-3H3,(H,17,18)(H2,15,16,20)