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

Systemtic Name: N-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)benzamide Openeye Name: N-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)benzamide CAS Name: N-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: N-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)benzamide Traditional Name: N-[4-keto-2-(phenacylthio)thieno[3,2-d]pyrimidin-3-yl]benzamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S2/c25-17(14-7-3-1-4-8-14)13-29-21-22-16-11-12-28-18(16)20(27)24(21)23-19(26)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,26)