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

Systemtic Name: S-[2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C23H29N3O3S/c1-18(27)30-16-15-26(14-13-19-9-5-3-6-10-19)23(29)25-21(22(28)24-2)17-20-11-7-4-8-12-20/h3-12,21H,13-17H2,1-2H3,(H,24,28)(H,25,29)