4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-(triphenylmethyl)piperidine-1-carbothioamide

Systemtic Name: 4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-(triphenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]-N-trityl-piperidine-1-carbothioamide CAS Name: 4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-N-(triphenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-tritylpiperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]-N-trityl-piperidine-1-carbothioamide Formula: C40H45N5OS MolecularWeight: 643.8832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H45N5OS/c46-39-44(29-15-28-42-26-13-4-14-27-42)36-22-11-12-23-37(36)45(39)35-24-30-43(31-25-35)38(47)41-40(32-16-5-1-6-17-32,33-18-7-2-8-19-33)34-20-9-3-10-21-34/h1-3,5-12,16-23,35H,4,13-15,24-31H2,(H,41,47)