4-(2-adamantyl)-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C22H30ClN3S MolecularWeight: 404.0117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H30ClN3S/c1-14-2-3-19(23)13-20(14)24-22(27)26-6-4-25(5-7-26)21-17-9-15-8-16(11-17)12-18(21)10-15/h2-3,13,15-18,21H,4-12H2,1H3,(H,24,27)