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

Systemtic Name: 6-tert-butyl-4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride Openeye Name: 6-tert-butyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride CAS Name: 6-tert-butyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride IUPAC Name: 6-tert-butyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride Traditional Name: 6-tert-butyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazole-2-thione hydrochloride Formula: C18H30ClN3O2S MolecularWeight: 387.9677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1)OCC(CNC(C)(C)C)O)NC(=S)N2.Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1)OCC(CNC(C)(C)C)O)NC(=S)N2.Cl

InChI

InChI=1S/C18H29N3O2S.ClH/c1-17(2,3)11-7-13-15(21-16(24)20-13)14(8-11)23-10-12(22)9-19-18(4,5)6;/h7-8,12,19,22H,9-10H2,1-6H3,(H2,20,21,24);1H