N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-2-pyridylmethyleneamino]azepane-1-carbothioamide CAS Name: N-[(E)-2-pyridinylmethylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-2-pyridylmethyleneamino]azepane-1-carbothioamide Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NN=CC2=CC=CC=N2

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4S/c18-13(17-9-5-1-2-6-10-17)16-15-11-12-7-3-4-8-14-12/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)/b15-11+