ethyl 3-[2-(2-phenylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(2-phenylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(2-phenyl-4-quinazolinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-phenylquinazolin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-2-31-25(30)18-11-8-12-19(15-18)26-22(29)16-32-24-20-13-6-7-14-21(20)27-23(28-24)17-9-4-3-5-10-17/h3-15H,2,16H2,1H3,(H,26,29)