N-(2,3-dimethylquinoxalin-6-yl)azepane-1-carbothioamide

Systemtic Name: N-(2,3-dimethylquinoxalin-6-yl)azepane-1-carbothioamide Openeye Name: N-(2,3-dimethylquinoxalin-6-yl)azepane-1-carbothioamide CAS Name: N-(2,3-dimethyl-6-quinoxalinyl)-1-azepanecarbothioamide IUPAC Name: N-(2,3-dimethylquinoxalin-6-yl)azepane-1-carbothioamide Traditional Name: N-(2,3-dimethylquinoxalin-6-yl)azepane-1-carbothioamide Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCCCCC3)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCCCCC3)N=C1C

InChI

InChI=1S/C17H22N4S/c1-12-13(2)19-16-11-14(7-8-15(16)18-12)20-17(22)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,22)