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

Systemtic Name: N-cyclooctyl-2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-cyclooctyl-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetamide CAS Name: N-cyclooctyl-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide IUPAC Name: N-cyclooctyl-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide Traditional Name: N-cyclooctyl-2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]acetamide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C21H25N3O2S3/c25-18(22-14-7-4-2-1-3-5-8-14)13-27-12-17-23-20(26)19-15(11-29-21(19)24-17)16-9-6-10-28-16/h6,9-11,14H,1-5,7-8,12-13H2,(H,22,25)(H,23,24,26)