4-(2-adamantyl)-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(o-tolyl)piperazine-1-carbothioamide Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H31N3S/c1-15-4-2-3-5-20(15)23-22(26)25-8-6-24(7-9-25)21-18-11-16-10-17(13-18)14-19(21)12-16/h2-5,16-19,21H,6-14H2,1H3,(H,23,26)