2-(2-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide

Systemtic Name: 2-(2-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide Openeye Name: 2-(2-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide CAS Name: 2-(2-adamantyl)-N-(2,4-dichlorophenyl)-1-piperidinecarbothioamide IUPAC Name: 2-(2-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide Traditional Name: 2-(2-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide Formula: C22H28Cl2N2S MolecularWeight: 423.44212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2C3CC4CC(C3)CC2C4)C(=S)NC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(C(C1)C2C3CC4CC(C3)CC2C4)C(=S)NC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H28Cl2N2S/c23-17-4-5-19(18(24)12-17)25-22(27)26-6-2-1-3-20(26)21-15-8-13-7-14(10-15)11-16(21)9-13/h4-5,12-16,20-21H,1-3,6-11H2,(H,25,27)