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

Systemtic Name: ethyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(4-tosylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-3-28-20(25)17-6-8-18(9-7-17)22-21(29)23-12-14-24(15-13-23)30(26,27)19-10-4-16(2)5-11-19/h4-11H,3,12-15H2,1-2H3,(H,22,29)