methyl 6-[(3-chloranyl-2-fluoranyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-chloranyl-2-fluoranyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-chloro-2-fluoro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-chloro-2-fluoroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chloro-2-fluorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-chloro-2-fluoro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18ClFN2O2S MolecularWeight: 332.821323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=C(C(=CC=C1)Cl)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=C(C(=CC=C1)Cl)F

InChI

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