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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzyl)-piperonyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-5-12-28-26(31)22-17-34-25(29-22)16-30(14-19-6-9-21(10-7-19)27(2,3)4)15-20-8-11-23-24(13-20)33-18-32-23/h6-11,13,17H,5,12,14-16,18H2,1-4H3,(H,28,31)