1-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H27N3O4S/c1-16(2)17-7-9-19(10-8-17)28-23(30)20-5-3-4-6-21(20)26-25(28)33-15-22(29)27-13-11-18(12-14-27)24(31)32/h3-10,16,18H,11-15H2,1-2H3,(H,31,32)