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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-4-oxo-3-phenethyl-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-3-phenethyl-N-propyl-quinazoline-7-carboxamide Formula: C27H25ClFN3O2S MolecularWeight: 510.022703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25ClFN3O2S/c1-2-13-30-25(33)19-9-11-22-24(15-19)31-27(35-17-20-8-10-21(29)16-23(20)28)32(26(22)34)14-12-18-6-4-3-5-7-18/h3-11,15-16H,2,12-14,17H2,1H3,(H,30,33)