N-(2-cyanoethyl)-2-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S2/c22-11-6-12-25(14-7-2-1-3-8-14)17(26)13-28-21-23-19(27)18-15-9-4-5-10-16(15)29-20(18)24-21/h1-3,7-8H,4-6,9-10,12-13H2,(H,23,24,27)