1,3-diethyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one

Systemtic Name: 1,3-diethyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one Openeye Name: 1,3-diethyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one CAS Name: 1,3-diethyl-5-[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]-2-benzimidazolone IUPAC Name: 1,3-diethyl-5-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoyl]benzimidazol-2-one Traditional Name: 1,3-diethyl-5-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoyl]benzimidazol-2-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)C(C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)C(C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C)N(C1=O)CC

InChI

InChI=1S/C25H26N4O2S/c1-5-28-21-13-12-19(14-22(21)29(6-2)25(28)31)24(30)16(3)32-23-15-20(26-17(4)27-23)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3