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

Systemtic Name: S-[2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]-3-phenylsulfanyl-propyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]-3-phenylsulfanyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]-3-(phenylthio)propyl] ester IUPAC Name: S-[2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]-3-phenylsulfanylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isoamyl-amino]-3-(phenylthio)propyl] ester Formula: C27H37N3O3S2 MolecularWeight: 515.73098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(CSC1=CC=CC=C1)CSC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(C)CCN(C(CSC1=CC=CC=C1)CSC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C27H37N3O3S2/c1-20(2)15-16-30(23(18-34-21(3)31)19-35-24-13-9-6-10-14-24)27(33)29-25(26(32)28-4)17-22-11-7-5-8-12-22/h5-14,20,23,25H,15-19H2,1-4H3,(H,28,32)(H,29,33)