3-[(3-fluorophenyl)carbamothioylamino]-2,2-dimethyl-propanoate

Systemtic Name: 3-[(3-fluorophenyl)carbamothioylamino]-2,2-dimethyl-propanoate Openeye Name: 3-[(3-fluorophenyl)carbamothioylamino]-2,2-dimethyl-propanoate CAS Name: 3-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]-2,2-dimethylpropanoate IUPAC Name: 3-[(3-fluorophenyl)carbamothioylamino]-2,2-dimethylpropanoate Traditional Name: 3-[(3-fluorophenyl)thiocarbamoylamino]-2,2-dimethyl-propionate Formula: C12H14FN2O2S- MolecularWeight: 269.315163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=CC(=CC=C1)F)C(=O)[O-]

Isomeric SMILES

CC(C)(CNC(=S)NC1=CC(=CC=C1)F)C(=O)[O-]

InChI

InChI=1S/C12H15FN2O2S/c1-12(2,10(16)17)7-14-11(18)15-9-5-3-4-8(13)6-9/h3-6H,7H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1