N-(2-cyanoethyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4)SC=C3

InChI

InChI=1S/C23H18N4O2S2/c24-13-7-14-26(17-8-3-1-4-9-17)20(28)16-31-23-25-21-19(12-15-30-21)22(29)27(23)18-10-5-2-6-11-18/h1-6,8-12,15H,7,14,16H2