S-[2-[3-phenylpropyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-phenylpropyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[3-phenylpropyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-(3-pyridin-4-ylpropylamino)methyl]-(3-phenylpropyl)amino]ethyl] ester IUPAC Name: S-[2-[3-phenylpropyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-phenylpropyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl] ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCCC1=CC=CC=C1)C(=O)NCCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCCC1=CC=CC=C1)C(=O)NCCCC2=CC=NC=C2

InChI

InChI=1S/C22H29N3O2S/c1-19(26)28-18-17-25(16-6-10-20-7-3-2-4-8-20)22(27)24-13-5-9-21-11-14-23-15-12-21/h2-4,7-8,11-12,14-15H,5-6,9-10,13,16-18H2,1H3,(H,24,27)