2,6-bis(bromanyl)-4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]phenolate Formula: C19H17Br2N2O2S- MolecularWeight: 497.22348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Br2N2O2S/c1-11(2)13-6-3-12(4-7-13)5-8-17(24)23-19(26)22-14-9-15(20)18(25)16(21)10-14/h3-11,25H,1-2H3,(H2,22,23,24,26)/p-1/b8-5+