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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

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