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

Systemtic Name: 1-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-3-methyl-thiourea Openeye Name: 1-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-3-methyl-thiourea CAS Name: 1-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]-3-methylthiourea IUPAC Name: 1-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-3-methylthiourea Traditional Name: 1-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-3-methyl-thiourea Formula: C16H25FN5S+ MolecularWeight: 338.466603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN5S/c1-4-21-7-9-22(10-8-21)15-6-5-13(11-14(15)17)12(2)19-20-16(23)18-3/h5-6,11H,4,7-10H2,1-3H3,(H2,18,20,23)/p+1/b19-12-