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

Systemtic Name: 4-[[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C35H39N5O3S MolecularWeight: 609.78086

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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)NCC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C35H39N5O3S/c41-32(39-21-19-38(20-22-39)29-11-5-2-6-12-29)25-44-35-37-31-14-8-7-13-30(31)34(43)40(35)24-27-15-17-28(18-16-27)33(42)36-23-26-9-3-1-4-10-26/h1-14,27-28H,15-25H2,(H,36,42)