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

Systemtic Name: methyl 4-[[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H23N3O4S/c1-17-7-13-20(14-8-17)29-24(31)21-5-3-4-6-22(21)28-26(29)34-16-23(30)27-15-18-9-11-19(12-10-18)25(32)33-2/h3-14H,15-16H2,1-2H3,(H,27,30)