S-[3-ethanoylsulfanyl-2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]propyl] ethanethioate

Systemtic Name: S-[3-ethanoylsulfanyl-2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]propyl] ethanethioate Openeye Name: S-[3-acetylsulfanyl-2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(acetylthio)-2-[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]propyl] ester IUPAC Name: S-[3-acetylsulfanyl-2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(acetylthio)-2-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isoamyl-amino]propyl] ester Formula: C23H35N3O4S2 MolecularWeight: 481.6717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(CSC(=O)C)CSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CCN(C(CSC(=O)C)CSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C23H35N3O4S2/c1-16(2)11-12-26(20(14-31-17(3)27)15-32-18(4)28)23(30)25-21(22(29)24-5)13-19-9-7-6-8-10-19/h6-10,16,20-21H,11-15H2,1-5H3,(H,24,29)(H,25,30)