N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H31N3OS/c1-12-13(2)22-20(23-14(12)3)26-11-19(25)24-15(4)21-8-16-5-17(9-21)7-18(6-16)10-21/h15-18H,5-11H2,1-4H3,(H,24,25)/t15-,16?,17?,18?,21?/m1/s1