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

Systemtic Name: methyl 4-[[2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H27N3O4S/c1-18(2)21-8-5-7-11-24(21)31-26(33)22-9-4-6-10-23(22)30-28(31)36-17-25(32)29-16-19-12-14-20(15-13-19)27(34)35-3/h4-15,18H,16-17H2,1-3H3,(H,29,32)