O-[3,3-dimethyl-4-(3-oxidanylidenebutan-2-ylsulfanylcarbothioyloxy)piperazin-1-yl] 3-oxidanylidenebutan-2-ylsulfanylmethanethioate

Systemtic Name: O-[3,3-dimethyl-4-(3-oxidanylidenebutan-2-ylsulfanylcarbothioyloxy)piperazin-1-yl] 3-oxidanylidenebutan-2-ylsulfanylmethanethioate Openeye Name: O-[3,3-dimethyl-4-(1-methyl-2-oxo-propyl)sulfanylcarbothioyloxy-piperazin-1-yl] (1-methyl-2-oxo-propyl)sulfanylmethanethioate CAS Name: (3-oxobutan-2-ylthio)methanethioic acid O-[3,3-dimethyl-4-[(3-oxobutan-2-ylthio)-sulfanylidenemethoxy]-1-piperazinyl] ester IUPAC Name: O-[3,3-dimethyl-4-(3-oxobutan-2-ylsulfanylcarbothioyloxy)piperazin-1-yl] 3-oxobutan-2-ylsulfanylmethanethioate Traditional Name: [(2-keto-1-methyl-propyl)thio]methanethioic acid O-[4-[(2-keto-1-methyl-propyl)thio]carbothioyloxy-3,3-dimethyl-piperazino] ester Formula: C16H26N2O4S4 MolecularWeight: 438.64864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC(=S)ON1CCN(C(C1)(C)C)OC(=S)SC(C)C(=O)C

Isomeric SMILES

CC(C(=O)C)SC(=S)ON1CCN(C(C1)(C)C)OC(=S)SC(C)C(=O)C

InChI

InChI=1S/C16H26N2O4S4/c1-10(19)12(3)25-14(23)21-17-7-8-18(16(5,6)9-17)22-15(24)26-13(4)11(2)20/h12-13H,7-9H2,1-6H3