methyl (2S)-2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(5-bromo-2-pyridyl)carbamothioylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-bromopyridin-2-yl)carbamothioylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-4-methyl-valeric acid methyl ester Formula: C13H18BrN3O2S MolecularWeight: 360.26992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=S)NC1=NC=C(C=C1)Br

InChI

InChI=1S/C13H18BrN3O2S/c1-8(2)6-10(12(18)19-3)16-13(20)17-11-5-4-9(14)7-15-11/h4-5,7-8,10H,6H2,1-3H3,(H2,15,16,17,20)/t10-/m0/s1