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

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-methylphenyl)ethanamide Openeye Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(p-tolyl)acetamide CAS Name: (2S)-2-[1,3-benzodioxol-5-yl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide IUPAC Name: (2S)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide Traditional Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(p-tolyl)acetamide Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4S/c1-19-9-11-20(12-10-19)27(28(32)29-21-6-3-2-4-7-21)30(26(31)17-23-8-5-15-35-23)22-13-14-24-25(16-22)34-18-33-24/h5,8-16,21,27H,2-4,6-7,17-18H2,1H3,(H,29,32)/t27-/m0/s1