methyl 4-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[2-(methylthio)phenyl]piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C20H23N3O2S2/c1-25-19(24)15-7-9-16(10-8-15)21-20(26)23-13-11-22(12-14-23)17-5-3-4-6-18(17)27-2/h3-10H,11-14H2,1-2H3,(H,21,26)