4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-1,3-dihydrobenzimidazole-2-thione CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 4-[3-(homoveratrylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazole-2-thione Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2NC(=S)N3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2NC(=S)N3)O)OC

InChI

InChI=1S/C20H25N3O4S/c1-25-16-7-6-13(10-18(16)26-2)8-9-21-11-14(24)12-27-17-5-3-4-15-19(17)23-20(28)22-15/h3-7,10,14,21,24H,8-9,11-12H2,1-2H3,(H2,22,23,28)