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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-benzyloxyphenyl)methyl]amino]methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-benzoxybenzyl)-piperonyl-amino]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C35H33N3O4S MolecularWeight: 591.71922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=NC(=CS5)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=NC(=CS5)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C35H33N3O4S/c39-35(36-18-17-26-7-3-1-4-8-26)31-24-43-34(37-31)22-38(21-29-13-16-32-33(19-29)42-25-41-32)20-27-11-14-30(15-12-27)40-23-28-9-5-2-6-10-28/h1-16,19,24H,17-18,20-23,25H2,(H,36,39)