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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(p-tolylmethyl)amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(4-methylbenzyl)-piperonyl-amino]methyl]thiazole-4-carboxamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3S/c1-3-4-5-12-27-26(30)22-17-33-25(28-22)16-29(14-20-8-6-19(2)7-9-20)15-21-10-11-23-24(13-21)32-18-31-23/h6-11,13,17H,3-5,12,14-16,18H2,1-2H3,(H,27,30)