N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]azepane-1-carbothioamide CAS Name: N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]azepane-1-carbothioamide Formula: C12H16N4O2S2 MolecularWeight: 312.41104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O2S2/c17-16(18)11-6-5-10(20-11)9-13-14-12(19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,14,19)/b13-9+