2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S/c23-15-7-9-16(10-8-15)27-20(29)17-5-1-2-6-18(17)25-21(27)30-13-19(28)26-22(14-24)11-3-4-12-22/h1-2,5-10H,3-4,11-13H2,(H,26,28)