4-(1-adamantyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1-adamantyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(1-adamantyl)-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(1-adamantyl)-N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1-adamantyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(1-adamantyl)-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C28H42N4O2S2 MolecularWeight: 530.78868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C28H42N4O2S2/c1-20-4-3-5-21(2)32(20)36(33,34)26-8-6-25(7-9-26)29-27(35)30-10-12-31(13-11-30)28-17-22-14-23(18-28)16-24(15-22)19-28/h6-9,20-24H,3-5,10-19H2,1-2H3,(H,29,35)