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

Systemtic Name: 1-[3-(furan-2-ylmethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(2-furylmethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(2-furanylmethyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(furan-2-ylmethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(2-furfuryl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C27H25N5O6S MolecularWeight: 547.5823

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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(=CC=C4)[N+](=O)[O-])CC5=CC=CO5

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CO5

InChI

InChI=1S/C27H25N5O6S/c28-24(33)18-8-10-30(11-9-18)25(34)19-6-7-22-23(14-19)29-27(31(26(22)35)15-21-5-2-12-38-21)39-16-17-3-1-4-20(13-17)32(36)37/h1-7,12-14,18H,8-11,15-16H2,(H2,28,33)