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

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(C)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC[C@@H](C)C4=CC=CC=C4)F

InChI

InChI=1S/C26H24FN3O2S/c1-17-12-13-20(14-22(17)27)30-25(32)21-10-6-7-11-23(21)29-26(30)33-16-24(31)28-15-18(2)19-8-4-3-5-9-19/h3-14,18H,15-16H2,1-2H3,(H,28,31)/t18-/m1/s1