N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(4S)-chroman-4-yl]-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(4S)-chroman-4-yl]-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H22FN3O3S MolecularWeight: 475.534583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCOC5=CC=CC=C45)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@H]4CCOC5=CC=CC=C45)F

InChI

InChI=1S/C26H22FN3O3S/c1-16-10-11-17(14-20(16)27)30-25(32)19-7-2-4-8-21(19)29-26(30)34-15-24(31)28-22-12-13-33-23-9-5-3-6-18(22)23/h2-11,14,22H,12-13,15H2,1H3,(H,28,31)/t22-/m0/s1