tert-butyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2-bromo-4-fluoro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-bromo-4-fluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-bromo-4-fluoro-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C15H20BrFN2O2S MolecularWeight: 391.298903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=C(C=C(C=C1)F)Br

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C15H20BrFN2O2S/c1-15(2,3)21-13(20)5-4-8-18-14(22)19-12-7-6-10(17)9-11(12)16/h6-7,9H,4-5,8H2,1-3H3,(H2,18,19,22)