N-(1-adamantyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(quinazolin-4-ylthio)acetamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C23H26N4OS/c24-6-3-7-27(23-11-16-8-17(12-23)10-18(9-16)13-23)21(28)14-29-22-19-4-1-2-5-20(19)25-15-26-22/h1-2,4-5,15-18H,3,7-14H2