ethyl 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(4-p-phenetylsulfonylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H27N3O5S2/c1-3-29-19-9-11-20(12-10-19)32(27,28)25-15-13-24(14-16-25)22(31)23-18-7-5-17(6-8-18)21(26)30-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,23,31)