N-[4-(1-adamantyl)phenyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c26-19-5-6-23-21(25-19)28-13-20(27)24-18-3-1-17(2-4-18)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16H,7-13H2,(H,24,27)(H,23,25,26)