N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide Traditional Name: 2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C21H16N4O2S5 MolecularWeight: 516.70234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C21H16N4O2S5/c1-28-21-23-13-5-4-11(7-15(13)32-21)22-17(26)10-29-9-16-24-19(27)18-12(8-31-20(18)25-16)14-3-2-6-30-14/h2-8H,9-10H2,1H3,(H,22,26)(H,24,25,27)