4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H23F2N3OS MolecularWeight: 391.477926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC)F

InChI

InChI=1S/C20H23F2N3OS/c1-14-3-5-17(12-18(14)22)23-20(27)25-9-7-24(8-10-25)13-15-11-16(21)4-6-19(15)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)