1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea Formula: C17H20ClFN3OS2+ MolecularWeight: 400.941603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

InChI

InChI=1S/C17H19ClFN3OS2/c18-13-10-12(3-4-14(13)19)21-17(24)20-11-15(16-2-1-9-25-16)22-5-7-23-8-6-22/h1-4,9-10,15H,5-8,11H2,(H2,20,21,24)/p+1/t15-/m0/s1