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

Systemtic Name: S-[2-[(2-acetamido-3-ethanoylsulfanyl-propanoyl)amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[(2-acetamido-3-acetylsulfanyl-propanoyl)amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-acetamido-3-(acetylthio)-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[(2-acetamido-3-acetylsulfanylpropanoyl)amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-acetamido-3-(acetylthio)propanoyl]amino]ethyl] ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S2/c1-11(19)18-14(10-24-12(2)20)15(21)17-8-9-23-16(22)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,17,21)(H,18,19)