1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[2-(1-piperidylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[2-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(piperidinomethyl)benzyl]thiourea Formula: C20H23ClFN3S MolecularWeight: 391.933123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3S/c21-18-12-17(8-9-19(18)22)24-20(26)23-13-15-6-2-3-7-16(15)14-25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H2,23,24,26)