N-(1-adamantylcarbamoyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C21H24N4O2S/c26-18(11-28-19-16-3-1-2-4-17(16)22-12-23-19)24-20(27)25-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,12-15H,5-11H2,(H2,24,25,26,27)