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

Systemtic Name: 1-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C19H24ClFN3S2+ MolecularWeight: 412.995363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

InChI

InChI=1S/C19H23ClFN3S2/c20-15-12-14(7-8-16(15)21)23-19(25)22-13-17(18-6-5-11-26-18)24-9-3-1-2-4-10-24/h5-8,11-12,17H,1-4,9-10,13H2,(H2,22,23,25)/p+1/t17-/m0/s1