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

Systemtic Name: N-[(E)-[azanyl-(6-phenylmethoxypyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Openeye Name: N-[(E)-[amino-(6-benzyloxypyrazin-2-yl)methylene]amino]azepane-1-carbothioamide CAS Name: N-[(E)-[amino-(6-phenylmethoxy-2-pyrazinyl)methylidene]amino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-[amino-(6-phenylmethoxypyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Traditional Name: N-[(E)-[amino-(6-benzoxypyrazin-2-yl)methylene]amino]azepane-1-carbothioamide Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NN=C(C2=CN=CC(=N2)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCCN(CC1)C(=S)N/N=C(\C2=CN=CC(=N2)OCC3=CC=CC=C3)/N

InChI

InChI=1S/C19H24N6OS/c20-18(23-24-19(27)25-10-6-1-2-7-11-25)16-12-21-13-17(22-16)26-14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,1-2,6-7,10-11,14H2,(H2,20,23)(H,24,27)