2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-[piperonyl-[2-(2-thienyl)acetyl]amino]acetamide Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5)OC

InChI

InChI=1S/C30H34N2O6S/c1-35-24-13-11-21(16-26(24)36-2)29(30(34)31-22-7-4-3-5-8-22)32(28(33)17-23-9-6-14-39-23)18-20-10-12-25-27(15-20)38-19-37-25/h6,9-16,22,29H,3-5,7-8,17-19H2,1-2H3,(H,31,34)