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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(p-tolylmethyl)amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(4-methylbenzyl)-piperonyl-amino]methyl]thiazole-4-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-3-4-11-26-25(29)21-16-32-24(27-21)15-28(13-19-7-5-18(2)6-8-19)14-20-9-10-22-23(12-20)31-17-30-22/h5-10,12,16H,3-4,11,13-15,17H2,1-2H3,(H,26,29)