4-(2-adamantyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C23H33N3S MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H33N3S/c1-16-2-4-17(5-3-16)15-24-23(27)26-8-6-25(7-9-26)22-20-11-18-10-19(13-20)14-21(22)12-18/h2-5,18-22H,6-15H2,1H3,(H,24,27)