2,6-bis(bromanyl)-4-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]phenolate Formula: C16H12Br2ClN2O3S- MolecularWeight: 507.60408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br)Cl

InChI

InChI=1S/C16H13Br2ClN2O3S/c1-2-24-13-4-3-8(5-12(13)19)15(23)21-16(25)20-9-6-10(17)14(22)11(18)7-9/h3-7,22H,2H2,1H3,(H2,20,21,23,25)/p-1