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

Systemtic Name: 1-[2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H25FN4O5S MolecularWeight: 548.585303

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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)SCC(=O)C4=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)SCC(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

InChI

InChI=1S/C28H25FN4O5S/c29-20-6-3-17(4-7-20)24(34)16-39-28-31-23-14-19(26(36)32-11-9-18(10-12-32)25(30)35)5-8-22(23)27(37)33(28)15-21-2-1-13-38-21/h1-8,13-14,18H,9-12,15-16H2,(H2,30,35)