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

Systemtic Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)butanamide Openeye Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylsulfanyl)-N-(m-tolyl)butanamide CAS Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylthio)-N-(3-methylphenyl)butanamide IUPAC Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-methylphenyl)butanamide Traditional Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylthio)-N-(m-tolyl)butyramide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC=NC3=C2SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC=NC3=C2SC4=CC=CC=C43

InChI

InChI=1S/C21H19N3OS2/c1-3-16(20(25)24-14-8-6-7-13(2)11-14)27-21-19-18(22-12-23-21)15-9-4-5-10-17(15)26-19/h4-12,16H,3H2,1-2H3,(H,24,25)