3-[3-[[1-(3,4-dichlorophenyl)-2-methyl-propan-2-yl]amino]propoxy]-1-benzothiophene-2-carbonitrile

Systemtic Name: 3-[3-[[1-(3,4-dichlorophenyl)-2-methyl-propan-2-yl]amino]propoxy]-1-benzothiophene-2-carbonitrile Openeye Name: 3-[3-[[2-(3,4-dichlorophenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzothiophene-2-carbonitrile CAS Name: 3-[3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propoxy]-1-benzothiophene-2-carbonitrile IUPAC Name: 3-[3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propoxy]-1-benzothiophene-2-carbonitrile Traditional Name: 3-[3-[[2-(3,4-dichlorophenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzothiophene-2-carbonitrile Formula: C22H22Cl2N2OS MolecularWeight: 433.39388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC(=C(C=C1)Cl)Cl)NCCCOC2=C(SC3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(CC1=CC(=C(C=C1)Cl)Cl)NCCCOC2=C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C22H22Cl2N2OS/c1-22(2,13-15-8-9-17(23)18(24)12-15)26-10-5-11-27-21-16-6-3-4-7-19(16)28-20(21)14-25/h3-4,6-9,12,26H,5,10-11,13H2,1-2H3