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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(p-tolyl)acetamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)-N-(p-tolyl)acetamide Formula: C27H23ClN4O2S MolecularWeight: 503.01512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN4O2S/c1-19-7-13-22(14-8-19)31(16-4-15-29)25(33)18-35-27-30-24-6-3-2-5-23(24)26(34)32(27)17-20-9-11-21(28)12-10-20/h2-3,5-14H,4,16-18H2,1H3