N-[(E)-[azanyl-(6-chloranylpyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-[azanyl-(6-chloranylpyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Openeye Name: N-[(E)-[amino-(6-chloropyrazin-2-yl)methylene]amino]azepane-1-carbothioamide CAS Name: N-[(E)-[amino-(6-chloro-2-pyrazinyl)methylidene]amino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Traditional Name: N-[(E)-[amino-(6-chloropyrazin-2-yl)methylene]amino]azepane-1-carbothioamide Formula: C12H17ClN6S MolecularWeight: 312.82158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NN=C(C2=CN=CC(=N2)Cl)N

Isomeric SMILES

C1CCCN(CC1)C(=S)N/N=C(\C2=CN=CC(=N2)Cl)/N

InChI

InChI=1S/C12H17ClN6S/c13-10-8-15-7-9(16-10)11(14)17-18-12(20)19-5-3-1-2-4-6-19/h7-8H,1-6H2,(H2,14,17)(H,18,20)