N-(1,2,3-benzothiadiazol-5-yl)azepane-1-carboxamide

Systemtic Name: N-(1,2,3-benzothiadiazol-5-yl)azepane-1-carboxamide Openeye Name: N-(1,2,3-benzothiadiazol-5-yl)azepane-1-carboxamide CAS Name: N-(1,2,3-benzothiadiazol-5-yl)-1-azepanecarboxamide IUPAC Name: N-(1,2,3-benzothiadiazol-5-yl)azepane-1-carboxamide Traditional Name: N-(1,2,3-benzothiadiazol-5-yl)azepane-1-carboxamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)SN=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)SN=N3

InChI

InChI=1S/C13H16N4OS/c18-13(17-7-3-1-2-4-8-17)14-10-5-6-12-11(9-10)15-16-19-12/h5-6,9H,1-4,7-8H2,(H,14,18)