butyl 2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]benzoate Openeye Name: butyl 2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]benzoate CAS Name: 2-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]benzoate Traditional Name: 2-[[2-[(2-cyanophenyl)thio]benzoyl]amino]benzoic acid butyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H22N2O3S/c1-2-3-16-30-25(29)19-11-5-7-13-21(19)27-24(28)20-12-6-9-15-23(20)31-22-14-8-4-10-18(22)17-26/h4-15H,2-3,16H2,1H3,(H,27,28)