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

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-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-methyl-1,3-benzoxazol-5-yl)acetamide Formula: C21H16N4O3S3 MolecularWeight: 468.57174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CSCC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CSCC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C21H16N4O3S3/c1-11-22-14-7-12(4-5-15(14)28-11)23-18(26)10-29-9-17-24-20(27)19-13(8-31-21(19)25-17)16-3-2-6-30-16/h2-8H,9-10H2,1H3,(H,23,26)(H,24,25,27)