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

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C16H24ClFN3S+ MolecularWeight: 344.898263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H23ClFN3S/c17-14-12-13(6-7-15(14)18)20-16(22)19-8-5-11-21-9-3-1-2-4-10-21/h6-7,12H,1-5,8-11H2,(H2,19,20,22)/p+1