4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid hydrochloride

Systemtic Name: 4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid hydrochloride Openeye Name: 4-[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid hydrochloride CAS Name: 4-[[1-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid hydrochloride IUPAC Name: 4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid hydrochloride Traditional Name: 4-[[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid hydrochloride Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O.Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O.Cl

InChI

InChI=1S/C21H20N2O2S2.ClH/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25;/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25);1H