5-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]isophthalamide Formula: C22H17N5O3S2 MolecularWeight: 463.53208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C22H17N5O3S2/c23-19(29)13-6-14(20(24)30)8-15(7-13)27-18(28)10-31-21-16-9-17(12-4-2-1-3-5-12)32-22(16)26-11-25-21/h1-9,11H,10H2,(H2,23,29)(H2,24,30)(H,27,28)