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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-isopentyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-(3-methylbutyl)-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2,4-dimethoxybenzyl)-piperonyl-amino]methyl]-N-isoamyl-thiazole-4-carboxamide Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CSC(=N1)CN(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CSC(=N1)CN(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O5S/c1-18(2)9-10-28-27(31)22-16-36-26(29-22)15-30(13-19-5-8-23-25(11-19)35-17-34-23)14-20-6-7-21(32-3)12-24(20)33-4/h5-8,11-12,16,18H,9-10,13-15,17H2,1-4H3,(H,28,31)