methyl 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-[(E)-styryl]sulfonylpiperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-[(E)-styryl]sulfonylpiperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H25N3O4S2/c1-25-17(22)8-5-10-19-18(26)20-11-13-21(14-12-20)27(23,24)15-9-16-6-3-2-4-7-16/h2-4,6-7,9,15H,5,8,10-14H2,1H3,(H,19,26)/b15-9+