1-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(2-chloro-4-fluorophenyl)methylthio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(2-chloro-4-fluoro-benzyl)thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C27H24ClFN4O4S MolecularWeight: 555.020263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=C(C=C4)F)Cl)CC5=CC=CO5

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=C(C=C4)F)Cl)CC5=CC=CO5

InChI

InChI=1S/C27H24ClFN4O4S/c28-22-13-19(29)5-3-18(22)15-38-27-31-23-12-17(25(35)32-9-7-16(8-10-32)24(30)34)4-6-21(23)26(36)33(27)14-20-2-1-11-37-20/h1-6,11-13,16H,7-10,14-15H2,(H2,30,34)