1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(2-methylpiperidino)sulfonylphenyl]thiourea Formula: C19H21ClFN3O2S2 MolecularWeight: 441.970343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

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