2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)butanamide

Systemtic Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)butanamide Openeye Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)butanamide CAS Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylthio)-N-(2-ethoxyphenyl)butanamide IUPAC Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)butanamide Traditional Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylthio)-N-o-phenetyl-butyramide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC=NC3=C2SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC=NC3=C2SC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S2/c1-3-17(21(26)25-15-10-6-7-11-16(15)27-4-2)29-22-20-19(23-13-24-22)14-9-5-8-12-18(14)28-20/h5-13,17H,3-4H2,1-2H3,(H,25,26)