3-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H15ClN2O3S/c1-9-3-4-10(15(20)21)7-12(9)18-16(23)19-13-8-11(17)5-6-14(13)22-2/h3-8H,1-2H3,(H,20,21)(H2,18,19,23)