(2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide CAS Name: (2S)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: (2S)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H20FN3O2S/c1-13(19(26)23-12-14-6-8-15(22)9-7-14)28-21-24-18-5-3-2-4-17(18)20(27)25(21)16-10-11-16/h2-9,13,16H,10-12H2,1H3,(H,23,26)/t13-/m0/s1