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

Systemtic Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[(4-chlorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[(4-chlorobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C31H32ClN3O2S MolecularWeight: 546.12268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H32ClN3O2S/c32-26-16-12-24(13-17-26)21-38-31-34-28-9-5-4-8-27(28)30(37)35(31)20-23-10-14-25(15-11-23)29(36)33-19-18-22-6-2-1-3-7-22/h1-9,12-13,16-17,23,25H,10-11,14-15,18-21H2,(H,33,36)