2-[(4-phenacylsulfanylphenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(4-phenacylsulfanylphenyl)carbamoyl]benzoic acid Openeye Name: 2-[(4-phenacylsulfanylphenyl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-(phenacylthio)anilino]methyl]benzoic acid IUPAC Name: 2-[(4-phenacylsulfanylphenyl)carbamoyl]benzoic acid Traditional Name: 2-[[4-(phenacylthio)phenyl]carbamoyl]benzoic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H17NO4S/c24-20(15-6-2-1-3-7-15)14-28-17-12-10-16(11-13-17)23-21(25)18-8-4-5-9-19(18)22(26)27/h1-13H,14H2,(H,23,25)(H,26,27)