N-[(1R)-1-(1-adamantyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1H-perimidin-2-ylthio)acetamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC6=C5C(=CC=C6)N4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC6=C5C(=CC=C6)N4

InChI

InChI=1S/C25H29N3OS/c1-15(25-11-16-8-17(12-25)10-18(9-16)13-25)26-22(29)14-30-24-27-20-6-2-4-19-5-3-7-21(28-24)23(19)20/h2-7,15-18H,8-14H2,1H3,(H,26,29)(H,27,28)/t15-,16?,17?,18?,25?/m1/s1