N-[(E)-1-(5-methylpyrazin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: N-[(E)-1-(5-methylpyrazin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-(5-methylpyrazin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(5-methyl-2-pyrazinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-(5-methylpyrazin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-(5-methylpyrazin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=NNC(=S)N2CC3CCC(C2)CC3)C

Isomeric SMILES

CC1=NC=C(N=C1)/C(=N/NC(=S)N2CC3CCC(C2)CC3)/C

InChI

InChI=1S/C16H23N5S/c1-11-7-18-15(8-17-11)12(2)19-20-16(22)21-9-13-3-4-14(10-21)6-5-13/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,22)/b19-12+