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

Systemtic Name: methyl 6-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-bromo-4-fluoro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-bromo-4-fluorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-bromo-4-fluoro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18BrFN2O2S MolecularWeight: 377.272323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrFN2O2S/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)