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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

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