N-(3,5-dimethylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-17-14-18(2)16-20(15-17)22-21(27)23-9-11-24(12-10-23)28(25,26)13-8-19-6-4-3-5-7-19/h3-8,13-16H,9-12H2,1-2H3,(H,22,27)/b13-8+