N-(furan-2-ylmethyl)-4-[(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-furylmethyl)-4-[(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(2-furanylmethyl)-4-[[4-oxo-2-(phenacylthio)-3-quinazolinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-furfuryl)-4-[[4-keto-2-(phenacylthio)quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C29H29N3O4S/c33-26(21-7-2-1-3-8-21)19-37-29-31-25-11-5-4-10-24(25)28(35)32(29)18-20-12-14-22(15-13-20)27(34)30-17-23-9-6-16-36-23/h1-11,16,20,22H,12-15,17-19H2,(H,30,34)