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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-[(2-methylphenyl)methyl]amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(o-tolylmethyl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-[(2-methylphenyl)methyl]amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(2-methylphenyl)methyl]amino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(2-methylbenzyl)amino]acetamide Formula: C31H29ClN4O4S MolecularWeight: 589.10436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C(C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CSC5=NC(=CC(=N5)C)C

Isomeric SMILES

CC1=CC=CC=C1CN(C(C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CSC5=NC(=CC(=N5)C)C

InChI

InChI=1S/C31H29ClN4O4S/c1-19-6-4-5-7-23(19)16-36(28(37)17-41-31-33-20(2)14-21(3)34-31)29(22-8-10-24(32)11-9-22)30(38)35-25-12-13-26-27(15-25)40-18-39-26/h4-15,29H,16-18H2,1-3H3,(H,35,38)