3-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate

Systemtic Name: 3-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate Openeye Name: 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-methoxy-benzoate CAS Name: 3-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoate IUPAC Name: 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-methoxybenzoate Traditional Name: 3-[(3,4-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=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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