1-[2-(azepan-1-ium-1-yl)-2-methyl-propyl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)-2-methyl-propyl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)-2-methyl-propyl]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)-2-methylpropyl]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)-2-methylpropyl]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)-2-methyl-propyl]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C17H26ClFN3S+ MolecularWeight: 358.924843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=CC(=C(C=C1)F)Cl)[NH+]2CCCCCC2

Isomeric SMILES

CC(C)(CNC(=S)NC1=CC(=C(C=C1)F)Cl)[NH+]2CCCCCC2

InChI

InChI=1S/C17H25ClFN3S/c1-17(2,22-9-5-3-4-6-10-22)12-20-16(23)21-13-7-8-15(19)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3,(H2,20,21,23)/p+1