1-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-benzimidazol-1-yl]-N,N-diethyl-ethanamine

Systemtic Name: 1-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-benzimidazol-1-yl]-N,N-diethyl-ethanamine Openeye Name: 1-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-benzimidazol-1-yl]-N,N-diethyl-ethanamine CAS Name: 1-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-1-benzimidazolyl]-N,N-diethylethanamine IUPAC Name: 1-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanatobenzimidazol-1-yl]-N,N-diethylethanamine Traditional Name: 1-[2-(4-ethoxybenzyl)-5-isothiocyanato-benzimidazol-1-yl]ethyl-diethyl-amine Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)N1C2=C(C=C(C=C2)N=C=S)N=C1CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)C(C)N1C2=C(C=C(C=C2)N=C=S)N=C1CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H28N4OS/c1-5-26(6-2)17(4)27-22-13-10-19(24-16-29)15-21(22)25-23(27)14-18-8-11-20(12-9-18)28-7-3/h8-13,15,17H,5-7,14H2,1-4H3