S-[2-[3-methylbutyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-methylbutyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[isopentyl(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-methylbutyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[3-methylbutyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[isoamyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NCC1=CC=NC=C1

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NCC1=CC=NC=C1

InChI

InChI=1S/C16H25N3O2S/c1-13(2)6-9-19(10-11-22-14(3)20)16(21)18-12-15-4-7-17-8-5-15/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,18,21)