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

Systemtic Name: 2-(1-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide Openeye Name: 2-(1-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide CAS Name: 2-(1-adamantyl)-N-(2,4-dichlorophenyl)-1-piperidinecarbothioamide IUPAC Name: 2-(1-adamantyl)-N-(2,4-dichlorophenyl)piperidine-1-carbothioamide Traditional Name: 2-(1-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)C23CC4CC(C2)CC(C4)C3)C(=S)NC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(C(C1)C23CC4CC(C2)CC(C4)C3)C(=S)NC5=C(C=C(C=C5)Cl)Cl

InChI

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