[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O4S/c27-21(25-18-5-6-18)13-30-23(29)19-3-1-2-4-20(19)31-14-22(28)26-24-10-15-7-16(11-24)9-17(8-15)12-24/h1-4,15-18H,5-14H2,(H,25,27)(H,26,28)