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

Systemtic Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[4-oxo-2-(p-tolylmethylsulfanyl)quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[(4-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[(4-methylbenzyl)thio]quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C32H35N3O2S MolecularWeight: 525.7042

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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)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H35N3O2S/c1-23-11-13-26(14-12-23)22-38-32-34-29-10-6-5-9-28(29)31(37)35(32)21-25-15-17-27(18-16-25)30(36)33-20-19-24-7-3-2-4-8-24/h2-14,25,27H,15-22H2,1H3,(H,33,36)