3-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(3,5-dichloro-4-methoxy-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(3,5-dichloro-4-methoxy-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C17H14Cl2N2O5S MolecularWeight: 429.27446

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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)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl

InChI

InChI=1S/C17H14Cl2N2O5S/c1-25-13-4-3-8(16(23)24)7-12(13)20-17(27)21-15(22)9-5-10(18)14(26-2)11(19)6-9/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,27)