methyl 4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H22N4O4S2/c1-25-16(22)7-4-8-19-17(26)20-9-11-21(12-10-20)27(23,24)15-6-3-2-5-14(15)13-18/h2-3,5-6H,4,7-12H2,1H3,(H,19,26)