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

Systemtic Name: propyl 4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-2-12-29-21(28)16-8-10-17(11-9-16)23-20(27)14-30-22-24-18(13-19(26)25-22)15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,23,27)(H,24,25,26)