N,N-diethyl-2-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]ethanamine dihydrochloride

Systemtic Name: N,N-diethyl-2-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]ethanamine dihydrochloride Openeye Name: 2-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethyl-ethanamine dihydrochloride CAS Name: N,N-diethyl-2-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]thio]ethanamine dihydrochloride IUPAC Name: 2-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine dihydrochloride Traditional Name: 2-[(6-benzyl-1H-benzimidazol-2-yl)thio]ethyl-diethyl-amine dihydrochloride Formula: C20H27Cl2N3S MolecularWeight: 412.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C20H25N3S.2ClH/c1-3-23(4-2)12-13-24-20-21-18-11-10-17(15-19(18)22-20)14-16-8-6-5-7-9-16;;/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22);2*1H