2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N4O4S2/c1-13-14(2)32-20-19(13)21(28)25(16-6-4-3-5-7-16)22(24-20)31-12-18(27)23-15-8-10-17(11-9-15)26(29)30/h3-11H,12H2,1-2H3,(H,23,27)