[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C14H17BrFN3OS2 MolecularWeight: 406.336683

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H17BrFN3OS2/c1-18-4-6-19(7-5-18)14(21)22-9-13(20)17-12-3-2-10(15)8-11(12)16/h2-3,8H,4-7,9H2,1H3,(H,17,20)