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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-[2-(1-piperidyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-[2-(1-piperidinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]-N-(2-piperidinoethyl)thiazole-4-carboxamide Formula: C31H40N4O3S MolecularWeight: 548.7393

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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)NCCN5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCCN5CCCCC5

InChI

InChI=1S/C31H40N4O3S/c1-31(2,3)25-10-7-23(8-11-25)18-35(19-24-9-12-27-28(17-24)38-22-37-27)20-29-33-26(21-39-29)30(36)32-13-16-34-14-5-4-6-15-34/h7-12,17,21H,4-6,13-16,18-20,22H2,1-3H3,(H,32,36)