2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C26H23ClFN3O2S MolecularWeight: 495.996123

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4

InChI

InChI=1S/C26H23ClFN3O2S/c1-2-13-29-24(32)18-11-12-19-23(14-18)30-26(34-16-20-21(27)9-6-10-22(20)28)31(25(19)33)15-17-7-4-3-5-8-17/h3-12,14H,2,13,15-16H2,1H3,(H,29,32)