2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-thiophen-2-yl-imidazol-4-yl)methyl]-1-phenyl-ethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-thiophen-2-yl-imidazol-4-yl)methyl]-1-phenyl-ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[[3-butyl-2-(2-thienyl)imidazol-4-yl]methyl]-1-phenyl-ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-thiophen-2-yl-4-imidazolyl)methyl]-1-phenylethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-thiophen-2-ylimidazol-4-yl)methyl]-1-phenylethanamine Traditional Name: [2-(1,3-benzodioxol-5-yl)-1-phenyl-ethyl]-[[3-butyl-2-(2-thienyl)imidazol-4-yl]methyl]amine Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CS2)CNC(CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CS2)CNC(CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S/c1-2-3-13-30-22(18-29-27(30)26-10-7-14-33-26)17-28-23(21-8-5-4-6-9-21)15-20-11-12-24-25(16-20)32-19-31-24/h4-12,14,16,18,23,28H,2-3,13,15,17,19H2,1H3