N-(2-bromanyl-4-fluoranyl-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-bromo-4-fluoro-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2-bromo-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-bromo-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-bromo-4-fluoro-phenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H21BrFN3O2S MolecularWeight: 454.356343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)Br)OC

InChI

InChI=1S/C19H21BrFN3O2S/c1-25-14-4-6-17(18(12-14)26-2)23-7-9-24(10-8-23)19(27)22-16-5-3-13(21)11-15(16)20/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)