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

Systemtic Name: 4-[[2-(4-phenylquinazolin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(4-phenylquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(4-phenyl-2-quinazolinyl)thio]ethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(4-phenylquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-phenylquinazolin-2-yl)thio]acetyl]amino]methyl]benzoate Formula: C24H18N3O3S- MolecularWeight: 428.48302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C24H19N3O3S/c28-21(25-14-16-10-12-18(13-11-16)23(29)30)15-31-24-26-20-9-5-4-8-19(20)22(27-24)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,28)(H,29,30)/p-1