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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(3-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(3-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(=C3)F)F

Isomeric SMILES

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

InChI

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