ethyl 4-[[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]thiazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-4-thiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2,4-dimethoxybenzyl)-piperonyl-amino]methyl]thiazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H34N4O7S MolecularWeight: 582.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)CN(CC3=CC4=C(C=C3)OCO4)CC5=C(C=C(C=C5)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)CN(CC3=CC4=C(C=C3)OCO4)CC5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C29H34N4O7S/c1-4-38-29(35)33-11-9-32(10-12-33)28(34)23-18-41-27(30-23)17-31(15-20-5-8-24-26(13-20)40-19-39-24)16-21-6-7-22(36-2)14-25(21)37-3/h5-8,13-14,18H,4,9-12,15-17,19H2,1-3H3