[methylsulfanylcarbothioyl(phenyl)amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [methylsulfanylcarbothioyl(phenyl)amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (N-methylsulfanylcarbothioylanilino) 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (N-[(methylthio)-sulfanylidenemethyl]anilino) ester IUPAC Name: (N-methylsulfanylcarbothioylanilino) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (N-(methylthio)carbothioylanilino) ester Formula: C21H24N2O4S3 MolecularWeight: 464.62126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)ON(C3=CC=CC=C3)C(=S)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)ON(C3=CC=CC=C3)C(=S)SC

InChI

InChI=1S/C21H24N2O4S3/c1-16-8-10-19(11-9-16)30(25,26)22-14-12-17(13-15-22)20(24)27-23(21(28)29-2)18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3