ethyl 4-[2-(8-ethyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(8-ethyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(8-ethyl-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(8-ethyl-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(8-ethyl-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c1-3-18-11-8-12-22-24(18)29-25(19-9-6-5-7-10-19)30-26(22)34-17-23(31)28-21-15-13-20(14-16-21)27(32)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,31)