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

Systemtic Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[(3-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[2-[(3-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=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F

InChI

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