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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O4S/c1-3-22(2)32-31(35)27-20-39-30(33-27)18-34(17-25-11-14-28-29(15-25)38-21-37-28)16-23-9-12-26(13-10-23)36-19-24-7-5-4-6-8-24/h4-15,20,22H,3,16-19,21H2,1-2H3,(H,32,35)