4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C19H21ClFN3OS MolecularWeight: 393.905943

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

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