2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(2,4-dimethoxybenzyl)-piperonyl-amino]methyl]thiazole-4-carboxamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C26H31N3O5S/c1-4-5-10-27-26(30)21-16-35-25(28-21)15-29(13-18-6-9-22-24(11-18)34-17-33-22)14-19-7-8-20(31-2)12-23(19)32-3/h6-9,11-12,16H,4-5,10,13-15,17H2,1-3H3,(H,27,30)