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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2,4-dimethoxybenzyl)-piperonyl-amino]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCCC5=CC=CC=C5)OC

InChI

InChI=1S/C30H31N3O5S/c1-35-24-10-9-23(27(15-24)36-2)17-33(16-22-8-11-26-28(14-22)38-20-37-26)18-29-32-25(19-39-29)30(34)31-13-12-21-6-4-3-5-7-21/h3-11,14-15,19H,12-13,16-18,20H2,1-2H3,(H,31,34)