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

Systemtic Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethylphenyl)butanamide Openeye Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethylphenyl)butanamide CAS Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylthio)-N-(2-ethylphenyl)butanamide IUPAC Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethylphenyl)butanamide Traditional Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylthio)-N-(2-ethylphenyl)butyramide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(CC)SC2=NC=NC3=C2SC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(CC)SC2=NC=NC3=C2SC4=CC=CC=C43

InChI

InChI=1S/C22H21N3OS2/c1-3-14-9-5-7-11-16(14)25-21(26)17(4-2)28-22-20-19(23-13-24-22)15-10-6-8-12-18(15)27-20/h5-13,17H,3-4H2,1-2H3,(H,25,26)