2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-[phenyl(propan-2-yl)amino]phenyl]ethanamide

Systemtic Name: 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-[phenyl(propan-2-yl)amino]phenyl]ethanamide Openeye Name: 2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-(N-isopropylanilino)phenyl]acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(N-propan-2-ylanilino)phenyl]acetamide IUPAC Name: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-[4-(N-isopropylanilino)phenyl]acetamide Formula: C31H27FN4O2S MolecularWeight: 538.635083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C31H27FN4O2S/c1-21(2)35(24-8-4-3-5-9-24)25-18-14-23(15-19-25)33-29(37)20-39-31-34-28-11-7-6-10-27(28)30(38)36(31)26-16-12-22(32)13-17-26/h3-19,21H,20H2,1-2H3,(H,33,37)