2-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(o-tolylmethyl)amino]-N-(4-methoxyphenyl)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(2-methylbenzyl)amino]-N-(4-methoxyphenyl)acetamide Formula: C32H32N4O5S MolecularWeight: 584.68528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)OC)C(=O)CSC5=NC(=CC(=N5)C)C

Isomeric SMILES

CC1=CC=CC=C1CN(C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)OC)C(=O)CSC5=NC(=CC(=N5)C)C

InChI

InChI=1S/C32H32N4O5S/c1-20-7-5-6-8-24(20)17-36(29(37)18-42-32-33-21(2)15-22(3)34-32)30(23-9-14-27-28(16-23)41-19-40-27)31(38)35-25-10-12-26(39-4)13-11-25/h5-16,30H,17-19H2,1-4H3,(H,35,38)