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

Systemtic Name: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[(2-cyanophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[(2-cyanobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C32H32N4O2S MolecularWeight: 536.68708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H32N4O2S/c33-20-26-10-4-5-11-27(26)22-39-32-35-29-13-7-6-12-28(29)31(38)36(32)21-24-14-16-25(17-15-24)30(37)34-19-18-23-8-2-1-3-9-23/h1-13,24-25H,14-19,21-22H2,(H,34,37)