(2S)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)F

InChI

InChI=1S/C26H24FN3O3S/c1-15-9-12-23(33-4)22(13-15)28-24(31)17(3)34-26-29-21-8-6-5-7-19(21)25(32)30(26)18-11-10-16(2)20(27)14-18/h5-14,17H,1-4H3,(H,28,31)/t17-/m0/s1