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

Systemtic Name: 4-[[4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[4-oxo-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[4-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C30H36N4O4S MolecularWeight: 548.69624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O4S/c35-27(31-18-24-9-6-16-38-24)20-39-30-33-26-11-5-4-10-25(26)29(37)34(30)19-22-12-14-23(15-13-22)28(36)32-17-21-7-2-1-3-8-21/h1-5,7-8,10-11,22-24H,6,9,12-20H2,(H,31,35)(H,32,36)