2,6-bis(chloranyl)-4-[2-(4-cyclohexylphenoxy)ethanoylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(chloranyl)-4-[2-(4-cyclohexylphenoxy)ethanoylcarbamothioylamino]phenolate Openeye Name: 2,6-dichloro-4-[[2-(4-cyclohexylphenoxy)acetyl]carbamothioylamino]phenolate CAS Name: 2,6-dichloro-4-[[[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dichloro-4-[[2-(4-cyclohexylphenoxy)acetyl]carbamothioylamino]phenolate Traditional Name: 2,6-dichloro-4-[[2-(4-cyclohexylphenoxy)acetyl]thiocarbamoylamino]phenolate Formula: C21H21Cl2N2O3S- MolecularWeight: 452.37404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC(=S)NC3=CC(=C(C(=C3)Cl)[O-])Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC(=S)NC3=CC(=C(C(=C3)Cl)[O-])Cl

InChI

InChI=1S/C21H22Cl2N2O3S/c22-17-10-15(11-18(23)20(17)27)24-21(29)25-19(26)12-28-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h6-11,13,27H,1-5,12H2,(H2,24,25,26,29)/p-1