[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC(C)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC(C)C

InChI

InChI=1S/C20H29N3O5S/c1-13(2)9-10-21-20(27)23-17(24)11-28-19(26)15-7-5-6-8-16(15)29-12-18(25)22-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)(H2,21,23,24,27)