methyl 6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-thienylsulfonyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[sulfanylidene-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-thiophen-2-ylsulfonylpiperazine-1-carbothioyl)amino]hexanoate Traditional Name: 6-[[4-(2-thienylsulfonyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C16H25N3O4S3 MolecularWeight: 419.5824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H25N3O4S3/c1-23-14(20)6-3-2-4-8-17-16(24)18-9-11-19(12-10-18)26(21,22)15-7-5-13-25-15/h5,7,13H,2-4,6,8-12H2,1H3,(H,17,24)