[6-(methylamino)-5-pyridin-3-yl-6-sulfanylidene-hexyl] carbamimidothioate

Systemtic Name: [6-(methylamino)-5-pyridin-3-yl-6-sulfanylidene-hexyl] carbamimidothioate Openeye Name: 6-carbamimidoylsulfanyl-N-methyl-2-(3-pyridyl)hexanethioamide CAS Name: carbamimidothioic acid [6-(methylamino)-5-(3-pyridinyl)-6-sulfanylidenehexyl] ester IUPAC Name: [6-(methylamino)-5-pyridin-3-yl-6-sulfanylidenehexyl] carbamimidothioate Traditional Name: 6-(amidinothio)-N-methyl-2-(3-pyridyl)hexanethioamide Formula: C13H20N4S2 MolecularWeight: 296.4547

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(CCCCSC(=N)N)C1=CN=CC=C1

Isomeric SMILES

CNC(=S)C(CCCCSC(=N)N)C1=CN=CC=C1

InChI

InChI=1S/C13H20N4S2/c1-16-12(18)11(10-5-4-7-17-9-10)6-2-3-8-19-13(14)15/h4-5,7,9,11H,2-3,6,8H2,1H3,(H3,14,15)(H,16,18)