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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-benzyloxyphenyl)methyl]amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-benzoxybenzyl)-piperonyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C33H37N3O4S MolecularWeight: 571.72958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C33H37N3O4S/c1-2-3-4-8-17-34-33(37)29-23-41-32(35-29)21-36(20-27-13-16-30-31(18-27)40-24-39-30)19-25-11-14-28(15-12-25)38-22-26-9-6-5-7-10-26/h5-7,9-16,18,23H,2-4,8,17,19-22,24H2,1H3,(H,34,37)