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

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopentyl-acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-10-11-16(12-18(14)23)26-21(28)17-8-4-5-9-19(17)25-22(26)29-13-20(27)24-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H,24,27)