4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[(2-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[2-[(2-fluorobenzyl)thio]-4-keto-quinazolin-3-yl]butyramide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F

InChI

InChI=1S/C26H24FN3O2S/c27-22-13-6-4-11-20(22)18-33-26-29-23-14-7-5-12-21(23)25(32)30(26)16-8-15-24(31)28-17-19-9-2-1-3-10-19/h1-7,9-14H,8,15-18H2,(H,28,31)