4-[[2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-[[2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-(2-furylmethyl)cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-(2-furanylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-[[2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]-N-(2-furfuryl)cyclohexanecarboxamide Formula: C28H34N4O4S MolecularWeight: 522.65896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C28H34N4O4S/c33-25(30-21-6-1-2-7-21)18-37-28-31-24-10-4-3-9-23(24)27(35)32(28)17-19-11-13-20(14-12-19)26(34)29-16-22-8-5-15-36-22/h3-5,8-10,15,19-21H,1-2,6-7,11-14,16-18H2,(H,29,34)(H,30,33)