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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-[(4-fluorophenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-[[homoveratryl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C30H30FN3O5S MolecularWeight: 563.639703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCC5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NCC5=CC=C(C=C5)F)OC

InChI

InChI=1S/C30H30FN3O5S/c1-36-25-9-5-20(13-27(25)37-2)11-12-34(16-22-6-10-26-28(14-22)39-19-38-26)17-29-33-24(18-40-29)30(35)32-15-21-3-7-23(31)8-4-21/h3-10,13-14,18H,11-12,15-17,19H2,1-2H3,(H,32,35)