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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

InChI

InChI=1S/C26H27N5O2S/c1-18-10-12-19(13-11-18)16-30-25(33)21-8-4-5-9-22(21)28-26(30)34-17-24(32)29-23-14-15-27-31(23)20-6-2-3-7-20/h4-5,8-15,20H,2-3,6-7,16-17H2,1H3,(H,29,32)