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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

InChI

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