butyl 4-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-chloro-2-(o-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-chloro-2-[(2-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-chloro-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-chloro-2-[(2-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]benzoic acid butyl ester Formula: C24H24ClN3O3S MolecularWeight: 469.98366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

InChI

InChI=1S/C24H24ClN3O3S/c1-3-4-13-31-23(30)17-9-11-19(12-10-17)27-22(29)21-20(25)14-26-24(28-21)32-15-18-8-6-5-7-16(18)2/h5-12,14H,3-4,13,15H2,1-2H3,(H,27,29)