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

Systemtic Name: 2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-fluorobenzyl)propionamide Formula: C23H25ClFN3O3S MolecularWeight: 477.979303

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H25ClFN3O3S/c1-3-31-12-4-11-28-22(30)19-10-7-17(24)13-20(19)27-23(28)32-15(2)21(29)26-14-16-5-8-18(25)9-6-16/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,26,29)