N-(1-adamantyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(1-adamantyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1-adamantyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(1-adamantyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(1-adamantyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1-adamantyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C24H31N3O2S MolecularWeight: 425.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C24H31N3O2S/c28-21(26-24-13-16-10-17(14-24)12-18(11-16)15-24)8-2-1-5-9-27-22(29)19-6-3-4-7-20(19)25-23(27)30/h3-4,6-7,16-18H,1-2,5,8-15H2,(H,25,30)(H,26,28)