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

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C20H26FN4S+ MolecularWeight: 373.510643

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C20H25FN4S/c1-3-24-10-12-25(13-11-24)18-8-6-16(7-9-18)22-20(26)23-17-5-4-15(2)19(21)14-17/h4-9,14H,3,10-13H2,1-2H3,(H2,22,23,26)/p+1