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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-5-methylsulfanyl-2-phenyl-imidazol-4-yl)methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-5-methylsulfanyl-2-phenyl-imidazol-4-yl)methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(methylthio)-2-phenyl-4-imidazolyl]methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-5-methylsulfanyl-2-phenylimidazol-4-yl)methyl]methanamine Traditional Name: [3-butyl-5-(methylthio)-2-phenyl-imidazol-4-yl]methyl-dipiperonyl-amine Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)SC)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)SC)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H33N3O4S/c1-3-4-14-34-25(31(39-2)32-30(34)24-8-6-5-7-9-24)19-33(17-22-10-12-26-28(15-22)37-20-35-26)18-23-11-13-27-29(16-23)38-21-36-27/h5-13,15-16H,3-4,14,17-21H2,1-2H3