N-(3-fluoranyl-4-methyl-phenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(2-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19F2N3O2S2 MolecularWeight: 411.489166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)F

InChI

InChI=1S/C18H19F2N3O2S2/c1-13-6-7-14(12-16(13)20)21-18(26)22-8-10-23(11-9-22)27(24,25)17-5-3-2-4-15(17)19/h2-7,12H,8-11H2,1H3,(H,21,26)