methyl 6-[(2-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-chloro-4-fluoro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-4-fluorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-chloro-4-fluoro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18ClFN2O2S MolecularWeight: 332.821323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClFN2O2S/c1-20-13(19)5-3-2-4-8-17-14(21)18-12-7-6-10(16)9-11(12)15/h6-7,9H,2-5,8H2,1H3,(H2,17,18,21)