4-[[3,5-bis(chloranyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-[[3,5-bis(chloranyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: 4-[(3,5-dichloro-2-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dichloro-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dichloro-2-methoxy-benzoyl)thiocarbamoylamino]benzoate Formula: C16H11Cl2N2O4S- MolecularWeight: 398.24054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-])Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-])Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O4S/c1-24-13-11(6-9(17)7-12(13)18)14(21)20-16(25)19-10-4-2-8(3-5-10)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)/p-1