3-bromanyl-N-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)benzamide

Systemtic Name: 3-bromanyl-N-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)benzamide Openeye Name: 3-bromo-N-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)benzamide CAS Name: 3-bromo-N-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 3-bromo-N-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)benzamide Traditional Name: 3-bromo-N-[4-keto-2-(phenacylthio)thieno[3,2-d]pyrimidin-3-yl]benzamide Formula: C21H14BrN3O3S2 MolecularWeight: 500.38816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC(=CC=C4)Br)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC(=CC=C4)Br)SC=C3

InChI

InChI=1S/C21H14BrN3O3S2/c22-15-8-4-7-14(11-15)19(27)24-25-20(28)18-16(9-10-29-18)23-21(25)30-12-17(26)13-5-2-1-3-6-13/h1-11H,12H2,(H,24,27)