methyl 4-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[(4-besylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3O4S2/c1-23-15(20)8-5-9-17-16(24)18-10-12-19(13-11-18)25(21,22)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,24)