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

Systemtic Name: N-(2-cyanoethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S/c1-20-12-14-21(15-13-20)18-31-26(33)23-10-5-6-11-24(23)29-27(31)34-19-25(32)30(17-7-16-28)22-8-3-2-4-9-22/h2-6,8-15H,7,17-19H2,1H3