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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5S/c1-4-5-6-11-28-27(31)22-17-36-26(29-22)16-30(14-19-7-10-23-25(12-19)35-18-34-23)15-20-8-9-21(32-2)13-24(20)33-3/h7-10,12-13,17H,4-6,11,14-16,18H2,1-3H3,(H,28,31)