4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride Formula: C14H22ClN3O2S MolecularWeight: 331.86138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1NC(=S)N2)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1NC(=S)N2)O.Cl

InChI

InChI=1S/C14H21N3O2S.ClH/c1-14(2,3)15-7-9(18)8-19-11-6-4-5-10-12(11)17-13(20)16-10;/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,20);1H