5-bromanyl-2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-5-bromo-benzoic acid CAS Name: 5-bromo-2-[[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-5-bromo-benzoic acid Formula: C24H18BrN3O4S MolecularWeight: 524.38642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C24H18BrN3O4S/c25-16-10-11-20(18(12-16)23(31)32)26-21(29)14-33-24-27-19-9-5-4-8-17(19)22(30)28(24)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,26,29)(H,31,32)