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

Systemtic Name: 2,6-bis(bromanyl)-4-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(4-butoxybenzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(4-butoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(4-butoxybenzoyl)thiocarbamoylamino]phenolate Formula: C18H17Br2N2O3S- MolecularWeight: 501.21218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

InChI

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