4-[[2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[1-(2-furylmethylcarbamoyl)propylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[1-(2-furanylmethylamino)-1-oxobutan-2-yl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[1-(2-furfurylcarbamoyl)propylthio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C33H38N4O4S MolecularWeight: 586.74422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C33H38N4O4S/c1-2-29(31(39)35-21-26-11-8-20-41-26)42-33-36-28-13-7-6-12-27(28)32(40)37(33)22-24-14-16-25(17-15-24)30(38)34-19-18-23-9-4-3-5-10-23/h3-13,20,24-25,29H,2,14-19,21-22H2,1H3,(H,34,38)(H,35,39)