2-chloranyl-4-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-(m-anisoylthiocarbamoylamino)benzoic acid Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C16H13ClN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-10-5-6-12(15(21)22)13(17)8-10/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)