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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N,N-diethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-benzyloxyphenyl)methyl]amino]methyl]-N,N-diethyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N,N-diethyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N,N-diethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-benzoxybenzyl)-piperonyl-amino]methyl]-N,N-diethyl-thiazole-4-carboxamide Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O4S/c1-3-34(4-2)31(35)27-21-39-30(32-27)19-33(18-25-12-15-28-29(16-25)38-22-37-28)17-23-10-13-26(14-11-23)36-20-24-8-6-5-7-9-24/h5-16,21H,3-4,17-20,22H2,1-2H3