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

Systemtic Name: butan-2-yl 4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl 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)OC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-4-6-16-11-17(24)23-20(22-16)28-12-18(25)21-15-9-7-14(8-10-15)19(26)27-13(3)5-2/h7-11,13H,4-6,12H2,1-3H3,(H,21,25)(H,22,23,24)