4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

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