[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H27N3O4S/c1-15(2)23-19(26)13-29-17-9-5-4-8-16(17)20(27)28-12-18(25)24-21(14-22)10-6-3-7-11-21/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,23,26)(H,24,25)