4-(2-adamantyl)-N-naphthalen-1-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-naphthalen-1-yl-piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(1-naphthyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(1-naphthyl)piperazine-1-carbothioamide Formula: C25H31N3S MolecularWeight: 405.59874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C25H31N3S/c29-25(26-23-7-3-5-19-4-1-2-6-22(19)23)28-10-8-27(9-11-28)24-20-13-17-12-18(15-20)16-21(24)14-17/h1-7,17-18,20-21,24H,8-16H2,(H,26,29)