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

Systemtic Name: N-(furan-2-ylmethyl)-4-[[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-furylmethyl)-4-[[2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-(2-furanylmethyl)-4-[[2-[(2-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-furfuryl)-4-[[4-keto-2-[(2-methylbenzyl)thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CO5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C29H31N3O3S/c1-20-7-2-3-8-23(20)19-36-29-31-26-11-5-4-10-25(26)28(34)32(29)18-21-12-14-22(15-13-21)27(33)30-17-24-9-6-16-35-24/h2-11,16,21-22H,12-15,17-19H2,1H3,(H,30,33)