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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-hydroxyphenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide Traditional Name: N-cyclohexyl-2-(4-hydroxyphenyl)-2-[piperonyl-[2-(2-thienyl)acetyl]amino]acetamide Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)O)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)O)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C28H30N2O5S/c31-22-11-9-20(10-12-22)27(28(33)29-21-5-2-1-3-6-21)30(26(32)16-23-7-4-14-36-23)17-19-8-13-24-25(15-19)35-18-34-24/h4,7-15,21,27,31H,1-3,5-6,16-18H2,(H,29,33)