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

Systemtic Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[4-oxo-2-(p-tolylmethylsulfanyl)quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[2-[(4-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[4-keto-2-[(4-methylbenzyl)thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O2S/c1-22-11-13-25(14-12-22)21-37-31-33-28-10-6-5-9-27(28)30(36)34(31)20-24-15-17-26(18-16-24)29(35)32-19-23-7-3-2-4-8-23/h2-14,24,26H,15-21H2,1H3,(H,32,35)