butyl 4-[2-(2-phenylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-phenylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2-phenyl-4-quinazolinyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-phenylquinazolin-4-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c1-2-3-17-33-27(32)20-13-15-21(16-14-20)28-24(31)18-34-26-22-11-7-8-12-23(22)29-25(30-26)19-9-5-4-6-10-19/h4-16H,2-3,17-18H2,1H3,(H,28,31)