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

Systemtic Name: ethyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O5S2/c1-3-29-20(25)16-4-6-17(7-5-16)22-21(30)23-12-14-24(15-13-23)31(26,27)19-10-8-18(28-2)9-11-19/h4-11H,3,12-15H2,1-2H3,(H,22,30)