N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-N-phenyl-benzenecarbothioamide

Systemtic Name: N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-N-phenyl-benzenecarbothioamide Openeye Name: N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-N-phenyl-benzenecarbothioamide CAS Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-methyl-N-phenylbenzenecarbothioamide IUPAC Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-phenylbenzenecarbothioamide Traditional Name: N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-methyl-N-phenyl-thiobenzamide Formula: C27H28FN3O3S2 MolecularWeight: 525.657923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O3S2/c1-20-8-10-21(11-9-20)27(35)31(23-6-4-3-5-7-23)19-26(32)30-16-14-29(15-17-30)24-13-12-22(28)18-25(24)36(2,33)34/h3-13,18H,14-17,19H2,1-2H3