2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C22H23ClFN3O2S MolecularWeight: 447.953323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23ClFN3O2S/c1-14(2)9-10-27-21(29)18-8-5-16(23)11-19(18)26-22(27)30-13-20(28)25-12-15-3-6-17(24)7-4-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,25,28)