N-[(E)-1-pyrimidin-2-ylethylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-1-pyrimidin-2-ylethylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-1-pyrimidin-2-ylethylideneamino]azepane-1-carbothioamide CAS Name: N-[(E)-1-(2-pyrimidinyl)ethylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-1-pyrimidin-2-ylethylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-1-(2-pyrimidyl)ethylideneamino]azepane-1-carbothioamide Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCCCC1)C2=NC=CC=N2

Isomeric SMILES

C/C(=N\NC(=S)N1CCCCCC1)/C2=NC=CC=N2

InChI

InChI=1S/C13H19N5S/c1-11(12-14-7-6-8-15-12)16-17-13(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-10H2,1H3,(H,17,19)/b16-11+