4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-difluorophenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-difluorophenyl)sulfonyl-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-difluorophenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-difluorophenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C18H19F2N3O2S2 MolecularWeight: 411.489166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

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