N-[(1R)-1-(1-adamantyl)ethyl]-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-furoyl)piperazine-1-carbothioamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H31N3O2S/c1-15(22-12-16-9-17(13-22)11-18(10-16)14-22)23-21(28)25-6-4-24(5-7-25)20(26)19-3-2-8-27-19/h2-3,8,15-18H,4-7,9-14H2,1H3,(H,23,28)/t15-,16?,17?,18?,22?/m1/s1