N-[4-(azepan-1-yl)phenyl]-2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H26N4O2S2/c1-2-26-21(28)20-18(11-14-29-20)24-22(26)30-15-19(27)23-16-7-9-17(10-8-16)25-12-5-3-4-6-13-25/h7-11,14H,2-6,12-13,15H2,1H3,(H,23,27)