N-[1-(1-adamantyl)ethyl]-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-benzhydryl-piperazine-1-carbothioamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-benzhydrylpiperazine-1-carbothioamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-benzhydryl-piperazine-1-carbothioamide Formula: C30H39N3S MolecularWeight: 473.71576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H39N3S/c1-22(30-19-23-16-24(20-30)18-25(17-23)21-30)31-29(34)33-14-12-32(13-15-33)28(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-11,22-25,28H,12-21H2,1H3,(H,31,34)