1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(5-nitro-2-furyl)methyleneamino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(Z)-(5-nitro-2-furanyl)methylideneamino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(5-nitro-2-furyl)methyleneamino]thiourea Formula: C13H20N5O4S+ MolecularWeight: 342.394

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NN=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N/N=C\C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O4S/c19-18(20)12-3-2-11(22-12)10-15-16-13(23)14-4-1-5-17-6-8-21-9-7-17/h2-3,10H,1,4-9H2,(H2,14,16,23)/p+1/b15-10-