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

Systemtic Name: 4-[[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C33H36N4O3S MolecularWeight: 568.72894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O3S/c38-30(34-20-19-24-9-3-1-4-10-24)23-41-33-36-29-14-8-7-13-28(29)32(40)37(33)22-26-15-17-27(18-16-26)31(39)35-21-25-11-5-2-6-12-25/h1-14,26-27H,15-23H2,(H,34,38)(H,35,39)