N-(6-acetamido-1,3-benzothiazol-2-yl)-2-bromanyl-pentanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-bromanyl-pentanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-bromo-pentanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-bromopentanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-bromopentanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-bromo-valeramide Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)Br

Isomeric SMILES

CCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-3-4-10(15)13(20)18-14-17-11-6-5-9(16-8(2)19)7-12(11)21-14/h5-7,10H,3-4H2,1-2H3,(H,16,19)(H,17,18,20)