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

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H18FN5O3S MolecularWeight: 487.505523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4=CC=C(C=C4)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C25H18FN5O3S/c1-15-6-11-18(12-20(15)26)31-23(33)19-4-2-3-5-21(19)29-25(31)35-14-22(32)30-24(34)28-17-9-7-16(13-27)8-10-17/h2-12H,14H2,1H3,(H2,28,30,32,34)