N-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide

Systemtic Name: N-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Formula: C22H28FN3OS MolecularWeight: 401.540623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28FN3OS/c23-18-1-3-19(4-2-18)25-5-7-26(8-6-25)21(28)24-20(27)22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17H,5-14H2,(H,24,27,28)