1-butyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]thiourea CAS Name: 1-butyl-3-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]thiourea Formula: C19H31FN5S+ MolecularWeight: 380.546343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC)F

Isomeric SMILES

CCCCNC(=S)N/N=C(/C)\C1=CC(=C(C=C1)N2CC[NH+](CC2)CC)F

InChI

InChI=1S/C19H30FN5S/c1-4-6-9-21-19(26)23-22-15(3)16-7-8-18(17(20)14-16)25-12-10-24(5-2)11-13-25/h7-8,14H,4-6,9-13H2,1-3H3,(H2,21,23,26)/p+1/b22-15-