S-[2-[2-(1-adamantyl)ethyl-(3-imidazol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-(1-adamantyl)ethyl-(3-imidazol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-(1-adamantyl)ethyl-(3-imidazol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(1-adamantyl)ethyl-[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-(1-adamantyl)ethyl-(3-imidazol-1-ylpropylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(1-adamantyl)ethyl-(3-imidazol-1-ylpropylcarbamoyl)amino]ethyl] ester Formula: C23H36N4O2S MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C23H36N4O2S/c1-18(28)30-10-9-27(22(29)25-4-2-6-26-8-5-24-17-26)7-3-23-14-19-11-20(15-23)13-21(12-19)16-23/h5,8,17,19-21H,2-4,6-7,9-16H2,1H3,(H,25,29)