(2S)-N-cyclopropyl-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C26H22FN3O2S MolecularWeight: 459.535183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5CC5)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C4=CC=CC=C4)C(=O)NC5CC5)F

InChI

InChI=1S/C26H22FN3O2S/c1-16-11-14-19(15-21(16)27)30-25(32)20-9-5-6-10-22(20)29-26(30)33-23(17-7-3-2-4-8-17)24(31)28-18-12-13-18/h2-11,14-15,18,23H,12-13H2,1H3,(H,28,31)/t23-/m0/s1