[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C25H36N2O4S MolecularWeight: 460.62934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCC3

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C25H36N2O4S/c28-23(26-19-11-5-1-2-6-12-19)17-31-25(30)21-15-9-10-16-22(21)32-18-24(29)27-20-13-7-3-4-8-14-20/h9-10,15-16,19-20H,1-8,11-14,17-18H2,(H,26,28)(H,27,29)