(2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-3-methyl-butanamide Openeye Name: (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-3-methyl-butanamide CAS Name: (2S)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(4-fluorophenyl)-3-methylbutanamide IUPAC Name: (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-3-methylbutanamide Traditional Name: (2S)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorophenyl)-3-methyl-butyramide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H22FN3O2S/c1-13(2)19(20(27)24-15-9-7-14(23)8-10-15)29-22-25-18-6-4-3-5-17(18)21(28)26(22)16-11-12-16/h3-10,13,16,19H,11-12H2,1-2H3,(H,24,27)/t19-/m0/s1