tert-butyl 2-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 2-[(2-bromo-4-fluoro-phenyl)carbamothioylamino]-3-tert-butoxy-propanoate CAS Name: 2-[[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-bromo-4-fluorophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 2-[(2-bromo-4-fluoro-phenyl)thiocarbamoylamino]-3-tert-butoxy-propionic acid tert-butyl ester Formula: C18H26BrFN2O3S MolecularWeight: 449.378043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrFN2O3S/c1-17(2,3)24-10-14(15(23)25-18(4,5)6)22-16(26)21-13-8-7-11(20)9-12(13)19/h7-9,14H,10H2,1-6H3,(H2,21,22,26)