N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H19ClN4O2S/c26-18-8-6-11-20(16-18)29(15-7-14-27)23(31)17-33-25-28-22-13-5-4-12-21(22)24(32)30(25)19-9-2-1-3-10-19/h1-6,8-13,16H,7,15,17H2