N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(2-thiazolin-2-ylthio)methyl]benzamide Formula: C23H30N2OS2 MolecularWeight: 414.6271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4CSC5=NCCS5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4CSC5=NCCS5

InChI

InChI=1S/C23H30N2OS2/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)25-21(26)20-5-3-2-4-19(20)14-28-22-24-6-7-27-22/h2-5,15-18H,6-14H2,1H3,(H,25,26)/t15-,16?,17?,18?,23?/m1/s1