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

Systemtic Name: methyl 4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-thienylsulfonyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[sulfanylidene-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-thiophen-2-ylsulfonylpiperazine-1-carbothioyl)amino]butanoate Traditional Name: 4-[[4-(2-thienylsulfonyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C14H21N3O4S3 MolecularWeight: 391.52924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S3/c1-21-12(18)4-2-6-15-14(22)16-7-9-17(10-8-16)24(19,20)13-5-3-11-23-13/h3,5,11H,2,4,6-10H2,1H3,(H,15,22)