ethyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(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=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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