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

Systemtic Name: butyl 4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S/c1-2-3-13-30-22(29)17-9-11-18(12-10-17)24-21(28)15-31-23-25-19(14-20(27)26-23)16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,24,28)(H,25,26,27)