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

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C19H24FN4S+ MolecularWeight: 359.484063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)F

InChI

InChI=1S/C19H23FN4S/c1-14-3-4-16(13-18(14)20)22-19(25)21-15-5-7-17(8-6-15)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3,(H2,21,22,25)/p+1