[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[2-(isopentylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isoamylamino)-2-keto-ethyl]thio]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-15(2)9-11-22-19(24)13-27-21(26)17-7-5-6-8-18(17)28-14-20(25)23-12-10-16(3)4/h5-8,15-16H,9-14H2,1-4H3,(H,22,24)(H,23,25)