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

Systemtic Name: N-(2,1,3-benzothiadiazol-5-yl)azepane-1-carbothioamide Openeye Name: N-(2,1,3-benzothiadiazol-5-yl)azepane-1-carbothioamide CAS Name: N-(2,1,3-benzothiadiazol-5-yl)-1-azepanecarbothioamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)azepane-1-carbothioamide Traditional Name: N-piazthiol-5-ylazepane-1-carbothioamide Formula: C13H16N4S2 MolecularWeight: 292.42294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C13H16N4S2/c18-13(17-7-3-1-2-4-8-17)14-10-5-6-11-12(9-10)16-19-15-11/h5-6,9H,1-4,7-8H2,(H,14,18)