4-[1-(2-diethylaminoethyl)benzimidazol-2-yl]sulfanyl-N,N-diethyl-aniline hydrate trihydrochloride

Systemtic Name: 4-[1-(2-diethylaminoethyl)benzimidazol-2-yl]sulfanyl-N,N-diethyl-aniline hydrate trihydrochloride Openeye Name: 4-[1-(2-diethylaminoethyl)benzimidazol-2-yl]sulfanyl-N,N-diethyl-aniline hydrate trihydrochloride CAS Name: 4-[[1-(2-diethylaminoethyl)-2-benzimidazolyl]thio]-N,N-diethylaniline hydrate trihydrochloride IUPAC Name: 4-[1-(2-diethylaminoethyl)benzimidazol-2-yl]sulfanyl-N,N-diethylaniline hydrate trihydrochloride Traditional Name: [4-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]thio]phenyl]-diethyl-amine hydrate trihydrochloride Formula: C23H37Cl3N4OS MolecularWeight: 523.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1SC3=CC=C(C=C3)N(CC)CC.O.Cl.Cl.Cl

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1SC3=CC=C(C=C3)N(CC)CC.O.Cl.Cl.Cl

InChI

InChI=1S/C23H32N4S.3ClH.H2O/c1-5-25(6-2)17-18-27-22-12-10-9-11-21(22)24-23(27)28-20-15-13-19(14-16-20)26(7-3)8-4;;;;/h9-16H,5-8,17-18H2,1-4H3;3*1H;1H2