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

Systemtic Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(3-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-[(3-nitrophenyl)methyleneamino]-3-quinuclidin-3-yl-thiourea CAS Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-[(3-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)13-3-1-2-11(8-13)9-16-18-15(23)17-14-10-19-6-4-12(14)5-7-19/h1-3,8-9,12,14H,4-7,10H2,(H2,17,18,23)