N-(2-cyclopentylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

InChI

InChI=1S/C26H27N5O3S/c1-2-34-20-13-11-18(12-14-20)30-25(33)21-9-5-6-10-22(21)28-26(30)35-17-24(32)29-23-15-16-27-31(23)19-7-3-4-8-19/h5-6,9-16,19H,2-4,7-8,17H2,1H3,(H,29,32)