2,6-bis(bromanyl)-4-[[3-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[[3-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[3-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[[3-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[3-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[3-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]phenolate Formula: C18H17Br2N2O3S- MolecularWeight: 501.21218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

Isomeric SMILES

CC[C@H](C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

InChI

InChI=1S/C18H18Br2N2O3S/c1-3-10(2)25-13-6-4-5-11(7-13)17(24)22-18(26)21-12-8-14(19)16(23)15(20)9-12/h4-10,23H,3H2,1-2H3,(H2,21,22,24,26)/p-1/t10-/m0/s1