pentyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]acetate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]acetate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C14H18ClFN2O2S MolecularWeight: 332.821323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C14H18ClFN2O2S/c1-2-3-4-7-20-13(19)9-17-14(21)18-10-5-6-12(16)11(15)8-10/h5-6,8H,2-4,7,9H2,1H3,(H2,17,18,21)