4-[[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]methyl]benzoic acid Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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