[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N4O4S/c1-35-17-16-23(28-25(32)19-8-4-2-5-9-19)26(33)34-18-24(31)27-20-12-14-22(15-13-20)30-29-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,31)(H,28,32)