S-[2-[[2-acetamido-3-(2,2-dimethylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[2-acetamido-3-(2,2-dimethylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-acetamido-3-(2,2-dimethylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-acetamido-3-[(2,2-dimethyl-1-oxopropyl)thio]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-acetamido-3-(2,2-dimethylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-acetamido-3-(pivaloylthio)propanoyl]amino]ethyl] ester Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C(C)(C)C)C(=O)NCCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(CSC(=O)C(C)(C)C)C(=O)NCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H26N2O4S2/c1-13(22)21-15(12-27-18(25)19(2,3)4)16(23)20-10-11-26-17(24)14-8-6-5-7-9-14/h5-9,15H,10-12H2,1-4H3,(H,20,23)(H,21,22)