2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(p-tolylmethyl)amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: N-hexyl-2-[[(4-methylbenzyl)-piperonyl-amino]methyl]thiazole-4-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-3-4-5-6-13-28-27(31)23-18-34-26(29-23)17-30(15-21-9-7-20(2)8-10-21)16-22-11-12-24-25(14-22)33-19-32-24/h7-12,14,18H,3-6,13,15-17,19H2,1-2H3,(H,28,31)