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

Systemtic Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-benzimidazol-1-yl]-N,N-diethyl-ethanamine Openeye Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-benzimidazol-1-yl]-N,N-diethyl-ethanamine CAS Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanato-1-benzimidazolyl]-N,N-diethylethanamine IUPAC Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-isothiocyanatobenzimidazol-1-yl]-N,N-diethylethanamine Traditional Name: 2-[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)CCN1C2=C(C=C(C=C2)N=C=S)N=C1CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)N=C=S)N=C1CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H28N4OS/c1-4-26(5-2)13-14-27-22-12-9-19(24-17-29)16-21(22)25-23(27)15-18-7-10-20(11-8-18)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3