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

Systemtic Name: methyl 2-[2-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-bromo-4-fluoro-phenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-bromo-4-fluorophenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2-bromo-4-fluoro-phenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C16H21BrFN3O3S MolecularWeight: 434.323643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=C(C=C(C=C1)F)Br

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C16H21BrFN3O3S/c1-3-4-5-13(15(23)24-2)20-14(22)9-19-16(25)21-12-7-6-10(18)8-11(12)17/h6-8,13H,3-5,9H2,1-2H3,(H,20,22)(H2,19,21,25)