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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]thiazole-4-carboxamide Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)C(C)(C)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CC2=CC=C(C=C2)C(C)(C)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H35N3O3S/c1-5-6-13-29-27(32)23-18-35-26(30-23)17-31(15-20-7-10-22(11-8-20)28(2,3)4)16-21-9-12-24-25(14-21)34-19-33-24/h7-12,14,18H,5-6,13,15-17,19H2,1-4H3,(H,29,32)