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

Systemtic Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-fluorophenyl)methylthio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-fluorobenzyl)thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C27H25FN4O4S MolecularWeight: 520.575203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25FN4O4S/c28-20-6-3-17(4-7-20)16-37-27-30-23-14-19(25(34)31-11-9-18(10-12-31)24(29)33)5-8-22(23)26(35)32(27)15-21-2-1-13-36-21/h1-8,13-14,18H,9-12,15-16H2,(H2,29,33)