S-[2-[[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[isopentyl-[[2-(methylamino)-2-oxo-1-phenyl-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-oxomethyl]-(3-methylbutyl)amino]ethyl] ester IUPAC Name: S-[2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[isoamyl-[[2-keto-2-(methylamino)-1-phenyl-ethyl]carbamoyl]amino]ethyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(C1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(C1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C19H29N3O3S/c1-14(2)10-11-22(12-13-26-15(3)23)19(25)21-17(18(24)20-4)16-8-6-5-7-9-16/h5-9,14,17H,10-13H2,1-4H3,(H,20,24)(H,21,25)