ethyl 4-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c1-2-31-25(30)19-8-10-20(11-9-19)27-24(29)17-32-22-14-12-21(13-15-22)26-23(28)16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,26,28)(H,27,29)