methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S2/c1-27-18(24)14-2-6-16(7-3-14)21-19(28)22-10-12-23(13-11-22)29(25,26)17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3,(H,21,28)