2-[2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-[2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-[[2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)O

InChI

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