4-(2-adamantyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(4-chlorobenzyl)piperazine-1-carbothioamide Formula: C22H30ClN3S MolecularWeight: 404.0117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H30ClN3S/c23-20-3-1-15(2-4-20)14-24-22(27)26-7-5-25(6-8-26)21-18-10-16-9-17(12-18)13-19(21)11-16/h1-4,16-19,21H,5-14H2,(H,24,27)