N-(2-cyanoethyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C22H18N4O2S3 MolecularWeight: 466.59892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3)SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3)SC=C2C4=CC=CS4

InChI

InChI=1S/C22H18N4O2S3/c1-25-21(28)19-16(17-9-5-12-29-17)13-30-20(19)24-22(25)31-14-18(27)26(11-6-10-23)15-7-3-2-4-8-15/h2-5,7-9,12-13H,6,11,14H2,1H3