S-[2-oxidanylidene-2-[[6-oxidanylidene-6-(pyridin-3-ylmethylamino)hexyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[[6-oxidanylidene-6-(pyridin-3-ylmethylamino)hexyl]amino]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[[6-oxo-6-(3-pyridylmethylamino)hexyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[[6-oxo-6-(3-pyridinylmethylamino)hexyl]amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[[6-oxo-6-(pyridin-3-ylmethylamino)hexyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[6-keto-6-(3-pyridylmethylamino)hexyl]amino]ethyl] ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCC(=O)NCC1=CN=CC=C1

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCC(=O)NCC1=CN=CC=C1

InChI

InChI=1S/C16H23N3O3S/c1-13(20)23-12-16(22)18-9-4-2-3-7-15(21)19-11-14-6-5-8-17-10-14/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,18,22)(H,19,21)