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

Systemtic Name: 4-[3-(3-azanylpropyl)-2-oxidanylidene-benzimidazol-1-yl]-N-(diphenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[3-(3-aminopropyl)-2-oxo-benzimidazol-1-yl]-N-benzhydryl-piperidine-1-carbothioamide CAS Name: 4-[3-(3-aminopropyl)-2-oxo-1-benzimidazolyl]-N-(diphenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[3-(3-aminopropyl)-2-oxobenzimidazol-1-yl]-N-benzhydrylpiperidine-1-carbothioamide Traditional Name: 4-[3-(3-aminopropyl)-2-keto-benzimidazol-1-yl]-N-benzhydryl-piperidine-1-carbothioamide Formula: C29H33N5OS MolecularWeight: 499.67022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCCN)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCCN)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N5OS/c30-18-9-19-33-25-14-7-8-15-26(25)34(29(33)35)24-16-20-32(21-17-24)28(36)31-27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,27H,9,16-21,30H2,(H,31,36)