2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C22H23ClFN3O2S MolecularWeight: 447.953323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23ClFN3O2S/c1-13(2)12-27-21(29)18-10-16(23)6-9-19(18)26-22(27)30-14(3)20(28)25-11-15-4-7-17(24)8-5-15/h4-10,13-14H,11-12H2,1-3H3,(H,25,28)