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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]-N-cyclopentylacetamide IUPAC Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[(3-butyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-N-cyclopentyl-acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4CCCC4

InChI

InChI=1S/C21H25N3O2S2/c1-2-3-12-24-20(26)19-18(15-10-6-7-11-16(15)28-19)23-21(24)27-13-17(25)22-14-8-4-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,22,25)