N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(1-adamantyl)-N-[(4-chlorophenyl)methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(1-adamantyl)-N-(4-chlorobenzyl)-2-(2-pyrimidylthio)acetamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)Cl)C(=O)CSC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)Cl)C(=O)CSC5=NC=CC=N5

InChI

InChI=1S/C23H26ClN3OS/c24-20-4-2-16(3-5-20)14-27(21(28)15-29-22-25-6-1-7-26-22)23-11-17-8-18(12-23)10-19(9-17)13-23/h1-7,17-19H,8-15H2