2-[[1-(2-isothiocyanatoethyl)piperidin-4-yl]methyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[[1-(2-isothiocyanatoethyl)piperidin-4-yl]methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[[1-(2-isothiocyanatoethyl)-4-piperidyl]methyl]benzimidazole CAS Name: 2-[[1-(2-isothiocyanatoethyl)-4-piperidinyl]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[[1-(2-isothiocyanatoethyl)piperidin-4-yl]methyl]benzimidazole Traditional Name: 1-benzyl-2-[[1-(2-isothiocyanatoethyl)-4-piperidyl]methyl]benzimidazole Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CCN=C=S

Isomeric SMILES

C1CN(CCC1CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CCN=C=S

InChI

InChI=1S/C23H26N4S/c28-18-24-12-15-26-13-10-19(11-14-26)16-23-25-21-8-4-5-9-22(21)27(23)17-20-6-2-1-3-7-20/h1-9,19H,10-17H2