methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[(4-tosylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H25N3O4S2/c1-14-5-7-15(8-6-14)26(22,23)20-12-10-19(11-13-20)17(25)18-9-3-4-16(21)24-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,25)