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

Systemtic Name: 4-[[4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[4-oxo-2-[1-(3-pyridylmethylcarbamoyl)propylsulfanyl]quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[4-oxo-2-[[1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]thio]-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-oxo-2-[1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanylquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[1-(3-pyridylmethylcarbamoyl)propylthio]quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C34H39N5O3S MolecularWeight: 597.77016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C34H39N5O3S/c1-2-30(32(41)37-22-26-11-8-19-35-21-26)43-34-38-29-13-7-6-12-28(29)33(42)39(34)23-25-14-16-27(17-15-25)31(40)36-20-18-24-9-4-3-5-10-24/h3-13,19,21,25,27,30H,2,14-18,20,22-23H2,1H3,(H,36,40)(H,37,41)