N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyloctanamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyloctanamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)octanamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]octanamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)octanamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)caprylamide Formula: C26H35N3OS MolecularWeight: 437.6406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3OS/c1-2-3-4-5-12-17-24(30)27-26(31)29-20-18-28(19-21-29)25(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-11,13-16,25H,2-5,12,17-21H2,1H3,(H,27,30,31)