ethyl 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylcarbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylcarbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylcarbothioylpiperidine-4-carboxylate CAS Name: 1-[[[2-(4-bromophenyl)-2-oxoethyl]thio]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]sulfanylcarbothioylpiperidine-4-carboxylate Traditional Name: 1-[[2-(4-bromophenyl)-2-keto-ethyl]thio]carbothioylisonipecotic acid ethyl ester Formula: C17H20BrNO3S2 MolecularWeight: 430.3796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrNO3S2/c1-2-22-16(21)13-7-9-19(10-8-13)17(23)24-11-15(20)12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3