4-[3-[3-(azocan-1-yl)propyl]-2-oxidanylidene-benzimidazol-1-yl]-N-(diphenylmethyl)piperidine-1-carbothioamide

Systemtic Name: 4-[3-[3-(azocan-1-yl)propyl]-2-oxidanylidene-benzimidazol-1-yl]-N-(diphenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[3-[3-(azocan-1-yl)propyl]-2-oxo-benzimidazol-1-yl]-N-benzhydryl-piperidine-1-carbothioamide CAS Name: 4-[3-[3-(1-azocanyl)propyl]-2-oxo-1-benzimidazolyl]-N-(diphenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[3-[3-(azocan-1-yl)propyl]-2-oxobenzimidazol-1-yl]-N-benzhydrylpiperidine-1-carbothioamide Traditional Name: 4-[3-[3-(azocan-1-yl)propyl]-2-keto-benzimidazol-1-yl]-N-benzhydryl-piperidine-1-carbothioamide Formula: C36H45N5OS MolecularWeight: 595.8404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCCN(CCC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H45N5OS/c42-36-40(26-14-25-38-23-12-2-1-3-13-24-38)32-19-10-11-20-33(32)41(36)31-21-27-39(28-22-31)35(43)37-34(29-15-6-4-7-16-29)30-17-8-5-9-18-30/h4-11,15-20,31,34H,1-3,12-14,21-28H2,(H,37,43)