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

Systemtic Name: S-[2-[[3-ethanoylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[3-acetylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[3-(acetylthio)-2-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[[3-acetylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[3-(acetylthio)-2-(isobutyrylamino)propanoyl]amino]ethyl] ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S2/c1-12(2)16(22)20-15(11-26-13(3)21)17(23)19-9-10-25-18(24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3,(H,19,23)(H,20,22)