S-[2-oxidanylidene-2-[[6-oxidanylidene-6-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]hexyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[[6-oxidanylidene-6-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]hexyl]amino]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[[6-oxo-6-[[5-(2-thienyl)-1H-pyrazol-3-yl]amino]hexyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[[6-oxo-6-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]hexyl]amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[[6-oxo-6-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]hexyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[6-keto-6-[[5-(2-thienyl)-1H-pyrazol-3-yl]amino]hexyl]amino]ethyl] ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCC(=O)NC1=NNC(=C1)C2=CC=CS2

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCC(=O)NC1=NNC(=C1)C2=CC=CS2

InChI

InChI=1S/C17H22N4O3S2/c1-12(22)26-11-17(24)18-8-4-2-3-7-16(23)19-15-10-13(20-21-15)14-6-5-9-25-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,24)(H2,19,20,21,23)