[2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-[2-(isopropylcarbamoyl)anilino]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-oxo-2-[2-[oxo-(propan-2-ylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-[2-(isopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C21H23N3O5S/c1-13(2)23-20(27)14-7-3-5-9-16(14)24-19(26)11-29-21(28)15-8-4-6-10-17(15)30-12-18(22)25/h3-10,13H,11-12H2,1-2H3,(H2,22,25)(H,23,27)(H,24,26)