1-(furan-2-ylmethyl)-N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]benzimidazol-2-amine

Systemtic Name: 1-(furan-2-ylmethyl)-N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]benzimidazol-2-amine Openeye Name: 1-(2-furylmethyl)-N-[1-(2-isothiocyanatoethyl)-4-piperidyl]benzimidazol-2-amine CAS Name: 1-(2-furanylmethyl)-N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]-2-benzimidazolamine IUPAC Name: 1-(furan-2-ylmethyl)-N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]benzimidazol-2-amine Traditional Name: [1-(2-furfuryl)benzimidazol-2-yl]-[1-(2-isothiocyanatoethyl)-4-piperidyl]amine Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CO4)CCN=C=S

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CO4)CCN=C=S

InChI

InChI=1S/C20H23N5OS/c27-15-21-9-12-24-10-7-16(8-11-24)22-20-23-18-5-1-2-6-19(18)25(20)14-17-4-3-13-26-17/h1-6,13,16H,7-12,14H2,(H,22,23)