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

Systemtic Name: 1-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotic acid Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H29N3O4S/c1-2-3-6-18-9-11-20(12-10-18)29-24(31)21-7-4-5-8-22(21)27-26(29)34-17-23(30)28-15-13-19(14-16-28)25(32)33/h4-5,7-12,19H,2-3,6,13-17H2,1H3,(H,32,33)