2,6-bis(bromanyl)-4-(pentanoylcarbamothioylamino)phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-(pentanoylcarbamothioylamino)phenolate Openeye Name: 2,6-dibromo-4-(pentanoylcarbamothioylamino)phenolate CAS Name: 2,6-dibromo-4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-(pentanoylcarbamothioylamino)phenolate Traditional Name: 2,6-dibromo-4-(valerylthiocarbamoylamino)phenolate Formula: C12H13Br2N2O2S- MolecularWeight: 409.11682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC(=C(C(=C1)Br)[O-])Br

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC(=C(C(=C1)Br)[O-])Br

InChI

InChI=1S/C12H14Br2N2O2S/c1-2-3-4-10(17)16-12(19)15-7-5-8(13)11(18)9(14)6-7/h5-6,18H,2-4H2,1H3,(H2,15,16,17,19)/p-1