4-(2-adamantyl)-N-(3-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(3-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(3-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=CC=C1Cl)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

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