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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CS2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CS2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

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