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

Systemtic Name: tert-butyl N-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]carbamate Openeye Name: tert-butyl N-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]carbamate CAS Name: N-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-fluoro-4-methylphenyl)carbamothioylamino]carbamate Traditional Name: N-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C13H18FN3O2S MolecularWeight: 299.364323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)OC(C)(C)C)F

InChI

InChI=1S/C13H18FN3O2S/c1-8-5-6-9(7-10(8)14)15-11(20)16-17-12(18)19-13(2,3)4/h5-7H,1-4H3,(H,17,18)(H2,15,16,20)