2-(4-carbamothioylpiperazin-1-yl)ethanesulfonic acid

Systemtic Name: 2-(4-carbamothioylpiperazin-1-yl)ethanesulfonic acid Openeye Name: 2-(4-carbamothioylpiperazin-1-yl)ethanesulfonic acid CAS Name: 2-(4-carbamothioyl-1-piperazinyl)ethanesulfonic acid IUPAC Name: 2-(4-carbamothioylpiperazin-1-yl)ethanesulfonic acid Traditional Name: 2-(4-thiocarbamoylpiperazino)ethanesulfonic acid Formula: C7H15N3O3S2 MolecularWeight: 253.3423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C(=S)N

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C(=S)N

InChI

InChI=1S/C7H15N3O3S2/c8-7(14)10-3-1-9(2-4-10)5-6-15(11,12)13/h1-6H2,(H2,8,14)(H,11,12,13)