4-(2-adamantyl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-benzyl-piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-benzylpiperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-benzyl-piperazine-1-carbothioamide Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3S/c26-22(23-15-16-4-2-1-3-5-16)25-8-6-24(7-9-25)21-19-11-17-10-18(13-19)14-20(21)12-17/h1-5,17-21H,6-15H2,(H,23,26)