2-methylpropyl 4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isobutyl 4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid isobutyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C20H25N3O4S/c1-4-5-16-10-17(24)23-20(22-16)28-12-18(25)21-15-8-6-14(7-9-15)19(26)27-11-13(2)3/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,23,24)