N-[(E)-1-pyrimidin-4-ylethylideneamino]piperidine-1-carbothioamide

Systemtic Name: N-[(E)-1-pyrimidin-4-ylethylideneamino]piperidine-1-carbothioamide Openeye Name: N-[(E)-1-pyrimidin-4-ylethylideneamino]piperidine-1-carbothioamide CAS Name: N-[(E)-1-(4-pyrimidinyl)ethylideneamino]-1-piperidinecarbothioamide IUPAC Name: N-[(E)-1-pyrimidin-4-ylethylideneamino]piperidine-1-carbothioamide Traditional Name: N-[(E)-1-(4-pyrimidyl)ethylideneamino]piperidine-1-carbothioamide Formula: C12H17N5S MolecularWeight: 263.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCCC1)C2=NC=NC=C2

Isomeric SMILES

C/C(=N\NC(=S)N1CCCCC1)/C2=NC=NC=C2

InChI

InChI=1S/C12H17N5S/c1-10(11-5-6-13-9-14-11)15-16-12(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)/b15-10+