N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

Systemtic Name: N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine Openeye Name: N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-1-(thiazol-4-ylmethyl)benzimidazol-2-amine CAS Name: N-[1-(2-isothiocyanatoethyl)-3-pyrrolidinyl]-1-(4-thiazolylmethyl)-2-benzimidazolamine IUPAC Name: N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine Traditional Name: [1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-[1-(thiazol-4-ylmethyl)benzimidazol-2-yl]amine Formula: C18H20N6S2 MolecularWeight: 384.5216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CSC=N4)CCN=C=S

Isomeric SMILES

C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CSC=N4)CCN=C=S

InChI

InChI=1S/C18H20N6S2/c25-12-19-6-8-23-7-5-14(9-23)21-18-22-16-3-1-2-4-17(16)24(18)10-15-11-26-13-20-15/h1-4,11,13-14H,5-10H2,(H,21,22)