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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C18H21ClFN4S+ MolecularWeight: 379.902543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN4S/c1-23-8-10-24(11-9-23)15-5-2-13(3-6-15)21-18(25)22-14-4-7-17(20)16(19)12-14/h2-7,12H,8-11H2,1H3,(H2,21,22,25)/p+1