S-[2-[2-imidazol-1-ylethylcarbamoyl(phenethyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-imidazol-1-ylethylcarbamoyl(phenethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-imidazol-1-ylethylcarbamoyl(phenethyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[2-(1-imidazolyl)ethylamino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[2-imidazol-1-ylethylcarbamoyl(phenethyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-imidazol-1-ylethylcarbamoyl(phenethyl)amino]ethyl] ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCN2C=CN=C2

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCN2C=CN=C2

InChI

InChI=1S/C18H24N4O2S/c1-16(23)25-14-13-22(10-7-17-5-3-2-4-6-17)18(24)20-9-12-21-11-8-19-15-21/h2-6,8,11,15H,7,9-10,12-14H2,1H3,(H,20,24)