2-(1,3-benzodioxol-5-yl)-N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[benzyl-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-N-(4-dimethylaminophenyl)acetamide Formula: C32H33N5O4S MolecularWeight: 583.70052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)N(C)C)C

InChI

InChI=1S/C32H33N5O4S/c1-21-16-22(2)34-32(33-21)42-19-29(38)37(18-23-8-6-5-7-9-23)30(24-10-15-27-28(17-24)41-20-40-27)31(39)35-25-11-13-26(14-12-25)36(3)4/h5-17,30H,18-20H2,1-4H3,(H,35,39)