[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H32N2O4S/c26-21(24-13-7-1-2-8-14-24)17-29-23(28)19-11-5-6-12-20(19)30-18-22(27)25-15-9-3-4-10-16-25/h5-6,11-12H,1-4,7-10,13-18H2