3-[2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H23N3O3S/c1-3-17-10-11-22-21(13-17)25(29-24(28-22)18-7-4-6-16(2)12-18)33-15-23(30)27-20-9-5-8-19(14-20)26(31)32/h4-14H,3,15H2,1-2H3,(H,27,30)(H,31,32)