N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pentanamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pentanamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pentanamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]pentanamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pentanamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]valeramide Formula: C13H16N2OS2 MolecularWeight: 280.40894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC2=C(S1)C=CC=C2SC

Isomeric SMILES

CCCCC(=O)NC1=NC2=C(S1)C=CC=C2SC

InChI

InChI=1S/C13H16N2OS2/c1-3-4-8-11(16)14-13-15-12-9(17-2)6-5-7-10(12)18-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)