S-[2-[[8-(naphthalen-1-ylamino)-8-oxidanylidene-octyl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[8-(naphthalen-1-ylamino)-8-oxidanylidene-octyl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[8-(1-naphthylamino)-8-oxo-octyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[8-(1-naphthalenylamino)-8-oxooctyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[8-(naphthalen-1-ylamino)-8-oxooctyl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[8-keto-8-(1-naphthylamino)octyl]amino]ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCCCC(=O)NC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCCCC(=O)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H28N2O3S/c1-17(25)28-16-22(27)23-15-8-4-2-3-5-14-21(26)24-20-13-9-11-18-10-6-7-12-19(18)20/h6-7,9-13H,2-5,8,14-16H2,1H3,(H,23,27)(H,24,26)