O-propan-2-yl [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]methanethioic acid O-isopropyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=S)SCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S2/c1-12(2)23-16(24)25-11-15(20)18-9-7-17(8-10-18)13-3-5-14(6-4-13)19(21)22/h3-6,12H,7-11H2,1-2H3