N-(3-fluoranyl-4-methyl-phenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C20H22FN3O2S2 MolecularWeight: 419.535983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S2/c1-16-7-8-18(15-19(16)21)22-20(27)23-10-12-24(13-11-23)28(25,26)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3,(H,22,27)/b14-9+