S-(4-nitrophenyl) 4-oxidanylidene-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]butanethioate

Systemtic Name: S-(4-nitrophenyl) 4-oxidanylidene-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]butanethioate Openeye Name: S-(4-nitrophenyl) 4-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-butanethioate CAS Name: 4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]butanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]butanethioate Traditional Name: 4-[4-[2-(isopropylamino)-2-keto-ethyl]piperazino]-4-keto-butanethioic acid S-(4-nitrophenyl) ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)CCC(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)CCC(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5S/c1-14(2)20-17(24)13-21-9-11-22(12-10-21)18(25)7-8-19(26)29-16-5-3-15(4-6-16)23(27)28/h3-6,14H,7-13H2,1-2H3,(H,20,24)