1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(2-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(2-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-[(2-nitrophenyl)methyleneamino]-3-quinuclidin-3-yl-thiourea CAS Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(2-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(2-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-[(2-nitrobenzylidene)amino]-3-quinuclidin-3-yl-thiourea Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NN=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NN=CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O2S/c21-20(22)14-4-2-1-3-12(14)9-16-18-15(23)17-13-10-19-7-5-11(13)6-8-19/h1-4,9,11,13H,5-8,10H2,(H2,17,18,23)