2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]-N-cyclohexylacetamide IUPAC Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[(3-butyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-N-cyclohexyl-acetamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4CCCCC4

InChI

InChI=1S/C22H27N3O2S2/c1-2-3-13-25-21(27)20-19(16-11-7-8-12-17(16)29-20)24-22(25)28-14-18(26)23-15-9-5-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3,(H,23,26)