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

Systemtic Name: S-[2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(2-methylpropyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isobutyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(2-methylpropyl)amino]ethyl] ester IUPAC Name: S-[2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isobutyl-amino]ethyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

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