N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-amine

Systemtic Name: N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-amine Openeye Name: N-[1-(2-isothiocyanatoethyl)-4-piperidyl]-1-[(2-methyloxazol-5-yl)methyl]benzimidazol-2-amine CAS Name: N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]-1-[(2-methyl-5-oxazolyl)methyl]-2-benzimidazolamine IUPAC Name: N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-amine Traditional Name: [1-(2-isothiocyanatoethyl)-4-piperidyl]-[1-[(2-methyloxazol-5-yl)methyl]benzimidazol-2-yl]amine Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCN(CC4)CCN=C=S

Isomeric SMILES

CC1=NC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCN(CC4)CCN=C=S

InChI

InChI=1S/C20H24N6OS/c1-15-22-12-17(27-15)13-26-19-5-3-2-4-18(19)24-20(26)23-16-6-9-25(10-7-16)11-8-21-14-28/h2-5,12,16H,6-11,13H2,1H3,(H,23,24)