[2-oxidanylidene-2-(propylamino)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C18H22N4O4S/c1-3-8-19-15(23)11-26-17(25)13-6-4-5-7-14(13)21-16(24)12-27-18-20-9-10-22(18)2/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,19,23)(H,21,24)