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

Systemtic Name: N-(1-adamantylmethyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(1-adamantylmethyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c25-19(11-26-20-17-3-1-2-4-18(17)23-13-24-20)22-12-21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,13-16H,5-12H2,(H,22,25)