2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(2-anilino-2-oxo-ethyl)sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[(2-anilino-2-oxoethyl)thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(2-anilino-2-oxoethyl)sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(2-anilino-2-keto-ethyl)thio]phenyl]carbamoyl]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c25-20(23-15-6-2-1-3-7-15)14-29-17-12-10-16(11-13-17)24-21(26)18-8-4-5-9-19(18)22(27)28/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28)