[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C31H38N2O4S MolecularWeight: 534.70942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H38N2O4S/c1-21(2)33(18-22-8-4-3-5-9-22)29(35)19-37-30(36)26-10-6-7-11-27(26)38-20-28(34)32-31-15-23-12-24(16-31)14-25(13-23)17-31/h3-11,21,23-25H,12-20H2,1-2H3,(H,32,34)