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

Systemtic Name: S-[2-[[2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[3-benzoylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[3-(benzoylthio)-2-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[[3-benzoylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[3-(benzoylthio)-2-(isobutyrylamino)propanoyl]amino]ethyl] ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S2/c1-16(2)20(26)25-19(15-31-23(29)18-11-7-4-8-12-18)21(27)24-13-14-30-22(28)17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3,(H,24,27)(H,25,26)