1-(4-chloranyl-3-fluoranyl-phenyl)-3-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(4-chloranyl-3-fluoranyl-phenyl)-3-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(4-chloro-3-fluoro-phenyl)-3-[4-methyl-2-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(4-chloro-3-fluorophenyl)-3-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-chloro-3-fluorophenyl)-3-(4-methyl-2-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-chloro-3-fluoro-phenyl)-3-(4-methyl-2-piperidinosulfonyl-phenyl)thiourea Formula: C19H21ClFN3O2S2 MolecularWeight: 441.970343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21ClFN3O2S2/c1-13-5-8-17(18(11-13)28(25,26)24-9-3-2-4-10-24)23-19(27)22-14-6-7-15(20)16(21)12-14/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,27)