propan-2-yl 4-[(4-fluorophenyl)carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(4-fluorophenyl)carbamothioylamino]benzoate Openeye Name: isopropyl 4-[(4-fluorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-fluorophenyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O2S/c1-11(2)22-16(21)12-3-7-14(8-4-12)19-17(23)20-15-9-5-13(18)6-10-15/h3-11H,1-2H3,(H2,19,20,23)