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

Systemtic Name: 4-[3-[3-(azepan-1-yl)propyl]-2-oxidanylidene-benzimidazol-1-yl]-N-(diphenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[3-[3-(azepan-1-yl)propyl]-2-oxo-benzimidazol-1-yl]-N-benzhydryl-piperidine-1-carbothioamide CAS Name: 4-[3-[3-(1-azepanyl)propyl]-2-oxo-1-benzimidazolyl]-N-(diphenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[3-[3-(azepan-1-yl)propyl]-2-oxobenzimidazol-1-yl]-N-benzhydrylpiperidine-1-carbothioamide Traditional Name: 4-[3-[3-(azepan-1-yl)propyl]-2-keto-benzimidazol-1-yl]-N-benzhydryl-piperidine-1-carbothioamide Formula: C35H43N5OS MolecularWeight: 581.81382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H43N5OS/c41-35-39(25-13-24-37-22-11-1-2-12-23-37)31-18-9-10-19-32(31)40(35)30-20-26-38(27-21-30)34(42)36-33(28-14-5-3-6-15-28)29-16-7-4-8-17-29/h3-10,14-19,30,33H,1-2,11-13,20-27H2,(H,36,42)