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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-(3,4-dimethylphenyl)thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-(3,4-dimethylphenyl)-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[homoveratryl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CSC(=N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC(=N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C31H33N3O5S/c1-20-5-8-24(13-21(20)2)32-31(35)25-18-40-30(33-25)17-34(16-23-7-10-27-29(15-23)39-19-38-27)12-11-22-6-9-26(36-3)28(14-22)37-4/h5-10,13-15,18H,11-12,16-17,19H2,1-4H3,(H,32,35)