3-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]benzoic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O3S/c1-21-13-6-5-10(16)8-12(13)18-15(22)17-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,19,20)(H2,17,18,22)