4-(4-methoxyphenyl)sulfanyl-3-(phenylcarbonylcarbamoylamino)benzoic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-3-(phenylcarbonylcarbamoylamino)benzoic acid Openeye Name: 3-(benzoylcarbamoylamino)-4-(4-methoxyphenyl)sulfanyl-benzoic acid CAS Name: 3-[[benzamido(oxo)methyl]amino]-4-[(4-methoxyphenyl)thio]benzoic acid IUPAC Name: 3-(benzoylcarbamoylamino)-4-(4-methoxyphenyl)sulfanylbenzoic acid Traditional Name: 3-(benzoylcarbamoylamino)-4-[(4-methoxyphenyl)thio]benzoic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)NC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)NC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O5S/c1-29-16-8-10-17(11-9-16)30-19-12-7-15(21(26)27)13-18(19)23-22(28)24-20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)(H2,23,24,25,28)