N-(3-methylsulfanylpropyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C17H25N3O2S3 MolecularWeight: 399.5943

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2S3/c1-24-14-5-9-18-17(23)19-10-12-20(13-11-19)25(21,22)15-8-16-6-3-2-4-7-16/h2-4,6-8,15H,5,9-14H2,1H3,(H,18,23)/b15-8+