1-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]benzimidazol-2-amine

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]benzimidazol-2-amine Openeye Name: 1-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]benzimidazol-2-amine CAS Name: 1-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)-3-pyrrolidinyl]-2-benzimidazolamine IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]benzimidazol-2-amine Traditional Name: [1-(4-fluorobenzyl)benzimidazol-2-yl]-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]amine Formula: C21H22FN5S MolecularWeight: 395.496283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCN=C=S

Isomeric SMILES

C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCN=C=S

InChI

InChI=1S/C21H22FN5S/c22-17-7-5-16(6-8-17)13-27-20-4-2-1-3-19(20)25-21(27)24-18-9-11-26(14-18)12-10-23-15-28/h1-8,18H,9-14H2,(H,24,25)