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

Systemtic Name: N-[(E)-[azanyl(pyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Openeye Name: N-[(E)-[amino(pyrazin-2-yl)methylene]amino]azepane-1-carbothioamide CAS Name: N-[(E)-[amino(2-pyrazinyl)methylidene]amino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Traditional Name: N-[(E)-[amino(pyrazin-2-yl)methylene]amino]azepane-1-carbothioamide Formula: C12H18N6S MolecularWeight: 278.37652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NN=C(C2=NC=CN=C2)N

Isomeric SMILES

C1CCCN(CC1)C(=S)N/N=C(\C2=NC=CN=C2)/N

InChI

InChI=1S/C12H18N6S/c13-11(10-9-14-5-6-15-10)16-17-12(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8H2,(H2,13,16)(H,17,19)