1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(2-furyl)-2-piperidino-ethyl]thiourea Formula: C18H21ClFN3OS MolecularWeight: 381.895243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CO3

Isomeric SMILES

C1CCN(CC1)[C@@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CO3

InChI

InChI=1S/C18H21ClFN3OS/c19-14-11-13(6-7-15(14)20)22-18(25)21-12-16(17-5-4-10-24-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12H2,(H2,21,22,25)/t16-/m0/s1