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

Systemtic Name: methyl 4-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H25N3O4S/c1-17(2)18-10-14-21(15-11-18)30-25(32)22-6-4-5-7-23(22)29-27(30)35-16-24(31)28-20-12-8-19(9-13-20)26(33)34-3/h4-15,17H,16H2,1-3H3,(H,28,31)