2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 2-[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 2-[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N5O3S/c1-12(19(28)24-16-10-6-5-9-14(16)18(23)27)30-21-25-17(13-7-3-2-4-8-13)15(11-22)20(29)26-21/h2-10,12H,1H3,(H2,23,27)(H,24,28)(H,25,26,29)