2,6-bis(bromanyl)-4-[(3-propoxyphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(3-propoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(3-propoxybenzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(3-propoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(3-propoxybenzoyl)thiocarbamoylamino]phenolate Formula: C17H15Br2N2O3S- MolecularWeight: 487.1856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

InChI

InChI=1S/C17H16Br2N2O3S/c1-2-6-24-12-5-3-4-10(7-12)16(23)21-17(25)20-11-8-13(18)15(22)14(19)9-11/h3-5,7-9,22H,2,6H2,1H3,(H2,20,21,23,25)/p-1