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

Systemtic Name: S-[2-[[2-acetamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[(2-acetamido-3-benzoylsulfanyl-propanoyl)amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-acetamido-3-(benzoylthio)-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[(2-acetamido-3-benzoylsulfanylpropanoyl)amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-acetamido-3-(benzoylthio)propanoyl]amino]ethyl] ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4S2/c1-15(24)23-18(14-29-21(27)17-10-6-3-7-11-17)19(25)22-12-13-28-20(26)16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,22,25)(H,23,24)