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

Systemtic Name: 1-cyclohexyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]thiourea CAS Name: 1-cyclohexyl-3-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]thiourea Formula: C21H33FN5S+ MolecularWeight: 406.583623

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=NNC(=S)NC3CCCCC3)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C(=N\NC(=S)NC3CCCCC3)/C)F

InChI

InChI=1S/C21H32FN5S/c1-3-26-11-13-27(14-12-26)20-10-9-17(15-19(20)22)16(2)24-25-21(28)23-18-7-5-4-6-8-18/h9-10,15,18H,3-8,11-14H2,1-2H3,(H2,23,25,28)/p+1/b24-16-