1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Formula: C19H21ClFN3OS MolecularWeight: 393.905943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCC(C2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCC(C2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3OS/c1-25-16-5-3-15(4-6-16)24-9-8-13(12-24)11-22-19(26)23-14-2-7-18(21)17(20)10-14/h2-7,10,13H,8-9,11-12H2,1H3,(H2,22,23,26)