methyl 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S2/c1-14-6-7-15(2)16(13-14)27(23,24)21-11-9-20(10-12-21)18(26)19-8-4-5-17(22)25-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,26)