2-[3-[[1-(1-benzothiophen-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[3-[[1-(1-benzothiophen-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-[3-[[2-(benzothiophen-3-yl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]benzonitrile hydrochloride CAS Name: 2-[3-[[1-(1-benzothiophen-3-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile hydrochloride IUPAC Name: 2-[3-[[1-(1-benzothiophen-3-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile hydrochloride Traditional Name: 2-[3-[[2-(benzothiophen-3-yl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]benzonitrile hydrochloride Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CSC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.Cl

Isomeric SMILES

CC(C)(CC1=CSC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.Cl

InChI

InChI=1S/C22H24N2O2S.ClH/c1-22(2,11-17-15-27-21-10-6-4-8-19(17)21)24-13-18(25)14-26-20-9-5-3-7-16(20)12-23;/h3-10,15,18,24-25H,11,13-14H2,1-2H3;1H