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

Systemtic Name: N-butyl-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S2/c1-2-3-10-18-17(23)19-11-13-20(14-12-19)24(21,22)15-9-16-7-5-4-6-8-16/h4-9,15H,2-3,10-14H2,1H3,(H,18,23)/b15-9+