5-[2-[2-(3,4-dimethoxyphenyl)ethyl-propyl-amino]ethyl]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-[2-[2-(3,4-dimethoxyphenyl)ethyl-propyl-amino]ethyl]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-[2-[2-(3,4-dimethoxyphenyl)ethyl-propyl-amino]ethyl]-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-[2-[homoveratryl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC2=C(C=C1)NC(=S)N2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN(CCC1=CC2=C(C=C1)NC(=S)N2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O2S/c1-4-11-25(13-10-17-6-8-20(26-2)21(15-17)27-3)12-9-16-5-7-18-19(14-16)24-22(28)23-18/h5-8,14-15H,4,9-13H2,1-3H3,(H2,23,24,28)