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

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-methylphenyl)ethanamide Openeye Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(p-tolyl)acetamide CAS Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide IUPAC Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide Traditional Name: (2S)-N-cyclohexyl-2-[piperonyl-[2-(2-thienyl)acetyl]amino]-2-(p-tolyl)acetamide Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C29H32N2O4S/c1-20-9-12-22(13-10-20)28(29(33)30-23-6-3-2-4-7-23)31(27(32)17-24-8-5-15-36-24)18-21-11-14-25-26(16-21)35-19-34-25/h5,8-16,23,28H,2-4,6-7,17-19H2,1H3,(H,30,33)/t28-/m0/s1