N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4O2S/c1-19-15-20(2)17-22(16-19)30(14-8-13-28)25(32)18-34-27-29-24-12-7-6-11-23(24)26(33)31(27)21-9-4-3-5-10-21/h3-7,9-12,15-17H,8,14,18H2,1-2H3