propyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H16ClFN2O3S MolecularWeight: 346.804843

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C14H16ClFN2O3S/c1-2-7-21-13(20)6-5-12(19)18-14(22)17-9-3-4-11(16)10(15)8-9/h3-4,8H,2,5-7H2,1H3,(H2,17,18,19,22)