2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(2-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(2-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]-N-(2-pyridylmethyl)thiazole-4-carboxamide Formula: C30H32N4O3S MolecularWeight: 528.66508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C30H32N4O3S/c1-30(2,3)23-10-7-21(8-11-23)16-34(17-22-9-12-26-27(14-22)37-20-36-26)18-28-33-25(19-38-28)29(35)32-15-24-6-4-5-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,32,35)