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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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