2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonyloxyethanethioic S-acid

Systemtic Name: 2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonyloxyethanethioic S-acid Openeye Name: 2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carbonyl]oxyethanethioic S-acid CAS Name: 2-[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]methoxy]ethanethioic S-acid IUPAC Name: 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]oxyethanethioic S-acid Traditional Name: 2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazine-1-carbonyl]oxythioacetic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)OCC(=O)S

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)OCC(=O)S

InChI

InChI=1S/C12H21N3O4S/c1-9(2)13-10(16)7-14-3-5-15(6-4-14)12(18)19-8-11(17)20/h9H,3-8H2,1-2H3,(H,13,16)(H,17,20)