2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-2-(4-methylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-2-(4-methylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-benzyl-2-(p-tolyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-(4-methylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-(4-methylphenyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-benzyl-2-(p-tolyl)acetamide Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C29H26N2O4S/c1-20-9-11-22(12-10-20)28(29(33)30-18-21-6-3-2-4-7-21)31(27(32)17-24-8-5-15-36-24)23-13-14-25-26(16-23)35-19-34-25/h2-16,28H,17-19H2,1H3,(H,30,33)