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

Systemtic Name: 2-[[1-(2-isothiocyanatoethyl)piperidin-4-yl]methyl]-1-[(4-methylphenyl)methyl]benzimidazole Openeye Name: 2-[[1-(2-isothiocyanatoethyl)-4-piperidyl]methyl]-1-(p-tolylmethyl)benzimidazole CAS Name: 2-[[1-(2-isothiocyanatoethyl)-4-piperidinyl]methyl]-1-[(4-methylphenyl)methyl]benzimidazole IUPAC Name: 2-[[1-(2-isothiocyanatoethyl)piperidin-4-yl]methyl]-1-[(4-methylphenyl)methyl]benzimidazole Traditional Name: 2-[[1-(2-isothiocyanatoethyl)-4-piperidyl]methyl]-1-(4-methylbenzyl)benzimidazole Formula: C24H28N4S MolecularWeight: 404.57092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CC4CCN(CC4)CCN=C=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CC4CCN(CC4)CCN=C=S

InChI

InChI=1S/C24H28N4S/c1-19-6-8-21(9-7-19)17-28-23-5-3-2-4-22(23)26-24(28)16-20-10-13-27(14-11-20)15-12-25-18-29/h2-9,20H,10-17H2,1H3