3,5-bis(chloranyl)-2-[(2-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[(2-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[(2-methoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-(o-anisoylthiocarbamoylamino)benzoic acid Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl

InChI

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