4-[[4-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H19N3O5S/c20-19(27)12-1-3-13(4-2-12)22-17(24)11-28-15-7-5-14(6-8-15)21-16(23)9-10-18(25)26/h1-8H,9-11H2,(H2,20,27)(H,21,23)(H,22,24)(H,25,26)