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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-cyclohexyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-cyclohexyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]-N-cyclohexyl-thiazole-4-carboxamide Formula: C30H37N3O3S MolecularWeight: 519.69808

Click to see the large picture

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)NC5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NC5CCCCC5

InChI

InChI=1S/C30H37N3O3S/c1-30(2,3)23-12-9-21(10-13-23)16-33(17-22-11-14-26-27(15-22)36-20-35-26)18-28-32-25(19-37-28)29(34)31-24-7-5-4-6-8-24/h9-15,19,24H,4-8,16-18,20H2,1-3H3,(H,31,34)