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

Systemtic Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4)SC5=C3CCCC5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4)SC5=C3CCCC5

InChI

InChI=1S/C26H28N4O2S2/c27-15-8-16-29(18-9-2-1-3-10-18)22(31)17-33-26-28-24-23(20-13-6-7-14-21(20)34-24)25(32)30(26)19-11-4-5-12-19/h1-3,9-10,19H,4-8,11-14,16-17H2