S-[3-butanoylsulfanyl-9-(2-dimethylaminoethylamino)-9-oxidanylidene-nonyl] butanethioate

Systemtic Name: S-[3-butanoylsulfanyl-9-(2-dimethylaminoethylamino)-9-oxidanylidene-nonyl] butanethioate Openeye Name: S-[3-butanoylsulfanyl-9-(2-dimethylaminoethylamino)-9-oxo-nonyl] butanethioate CAS Name: butanethioic acid S-[9-(2-dimethylaminoethylamino)-9-oxo-3-(1-oxobutylthio)nonyl] ester IUPAC Name: S-[3-butanoylsulfanyl-9-(2-dimethylaminoethylamino)-9-oxononyl] butanethioate Traditional Name: butanethioic acid S-[3-(butyrylthio)-9-(2-dimethylaminoethylamino)-9-keto-nonyl] ester Formula: C21H40N2O3S2 MolecularWeight: 432.6839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SCCC(CCCCCC(=O)NCCN(C)C)SC(=O)CCC

Isomeric SMILES

CCCC(=O)SCCC(CCCCCC(=O)NCCN(C)C)SC(=O)CCC

InChI

InChI=1S/C21H40N2O3S2/c1-5-10-20(25)27-17-14-18(28-21(26)11-6-2)12-8-7-9-13-19(24)22-15-16-23(3)4/h18H,5-17H2,1-4H3,(H,22,24)