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

Systemtic Name: 4-[(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[4-oxo-2-(phenacylthio)-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[(4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-(phenacylthio)quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C32H33N3O3S MolecularWeight: 539.68772

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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)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H33N3O3S/c36-29(25-11-5-2-6-12-25)22-39-32-34-28-14-8-7-13-27(28)31(38)35(32)21-24-15-17-26(18-16-24)30(37)33-20-19-23-9-3-1-4-10-23/h1-14,24,26H,15-22H2,(H,33,37)