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

Systemtic Name: 4-[[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C36H41N5O3S MolecularWeight: 623.80744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C36H41N5O3S/c42-33(40-23-21-39(22-24-40)30-11-5-2-6-12-30)26-45-36-38-32-14-8-7-13-31(32)35(44)41(36)25-28-15-17-29(18-16-28)34(43)37-20-19-27-9-3-1-4-10-27/h1-14,28-29H,15-26H2,(H,37,43)