(E)-1-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-1-piperidyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[2-[(4-methylphenoxy)methyl]-1-benzimidazolyl]-1-piperidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]piperidino]-3-(2-thienyl)prop-2-en-1-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2C4CCN(CC4)C(=O)C=CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2C4CCN(CC4)C(=O)/C=C/C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S/c1-20-8-10-22(11-9-20)32-19-26-28-24-6-2-3-7-25(24)30(26)21-14-16-29(17-15-21)27(31)13-12-23-5-4-18-33-23/h2-13,18,21H,14-17,19H2,1H3/b13-12+