S-[2-[[2-oxidanylidene-2-[2-(phenylcarbonylsulfanyl)ethylamino]ethanoyl]amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[2-oxidanylidene-2-[2-(phenylcarbonylsulfanyl)ethylamino]ethanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-(2-benzoylsulfanylethylamino)-2-oxo-acetyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-[2-(benzoylthio)ethylamino]-1,2-dioxoethyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-(2-benzoylsulfanylethylamino)-2-oxoacetyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-[2-(benzoylthio)ethylamino]-2-keto-acetyl]amino]ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCNC(=O)C(=O)NCCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCNC(=O)C(=O)NCCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4S2/c23-17(21-11-13-27-19(25)15-7-3-1-4-8-15)18(24)22-12-14-28-20(26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,23)(H,22,24)