S-[(Z)-3-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-oxidanylidene-prop-1-enyl] 1H-imidazole-2-carbothioate

Systemtic Name: S-[(Z)-3-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-oxidanylidene-prop-1-enyl] 1H-imidazole-2-carbothioate Openeye Name: S-[(Z)-3-oxo-3-(quinuclidin-3-ylamino)prop-1-enyl] 1H-imidazole-2-carbothioate CAS Name: 1H-imidazole-2-carbothioic acid S-[(Z)-3-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(Z)-3-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-oxoprop-1-enyl] 1H-imidazole-2-carbothioate Traditional Name: 1H-imidazole-2-carbothioic acid S-[(Z)-3-keto-3-(quinuclidin-3-ylamino)prop-1-enyl] ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C=CSC(=O)C3=NC=CN3

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)/C=C\SC(=O)C3=NC=CN3

InChI

InChI=1S/C14H18N4O2S/c19-12(3-8-21-14(20)13-15-4-5-16-13)17-11-9-18-6-1-10(11)2-7-18/h3-5,8,10-11H,1-2,6-7,9H2,(H,15,16)(H,17,19)/b8-3-