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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-tert-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-tert-butyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-tert-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-tert-butyl-1,3-thiazole-4-carboxamide Traditional Name: N-tert-butyl-2-[[homoveratryl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CSC(=N1)CN(CCC2=CC(=C(C=C2)OC)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CSC(=N1)CN(CCC2=CC(=C(C=C2)OC)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H33N3O5S/c1-27(2,3)29-26(31)20-16-36-25(28-20)15-30(14-19-7-9-22-24(13-19)35-17-34-22)11-10-18-6-8-21(32-4)23(12-18)33-5/h6-9,12-13,16H,10-11,14-15,17H2,1-5H3,(H,29,31)