methyl 4-[2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H18BrN3O4S MolecularWeight: 524.38642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H18BrN3O4S/c1-32-23(31)15-6-10-17(11-7-15)26-21(29)14-33-24-27-20-5-3-2-4-19(20)22(30)28(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,26,29)