S-[2-oxidanylidene-2-[[6-oxidanylidene-6-[(4-phenoxyphenyl)amino]hexyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[[6-oxidanylidene-6-[(4-phenoxyphenyl)amino]hexyl]amino]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[[6-oxo-6-(4-phenoxyanilino)hexyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[[6-oxo-6-(4-phenoxyanilino)hexyl]amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[[6-oxo-6-(4-phenoxyanilino)hexyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[6-keto-6-(4-phenoxyanilino)hexyl]amino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-17(25)29-16-22(27)23-15-7-3-6-10-21(26)24-18-11-13-20(14-12-18)28-19-8-4-2-5-9-19/h2,4-5,8-9,11-14H,3,6-7,10,15-16H2,1H3,(H,23,27)(H,24,26)