[5-bromanyl-2-(phenylcarbonylcarbamothioylamino)pyrimidin-4-yl]methyl benzoate

Systemtic Name: [5-bromanyl-2-(phenylcarbonylcarbamothioylamino)pyrimidin-4-yl]methyl benzoate Openeye Name: [2-(benzoylcarbamothioylamino)-5-bromo-pyrimidin-4-yl]methyl benzoate CAS Name: benzoic acid [2-[[benzamido(sulfanylidene)methyl]amino]-5-bromo-4-pyrimidinyl]methyl ester IUPAC Name: [2-(benzoylcarbamothioylamino)-5-bromopyrimidin-4-yl]methyl benzoate Traditional Name: benzoic acid [2-(benzoylthiocarbamoylamino)-5-bromo-pyrimidin-4-yl]methyl ester Formula: C20H15BrN4O3S MolecularWeight: 471.3271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C(=N2)COC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C(=N2)COC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H15BrN4O3S/c21-15-11-22-19(25-20(29)24-17(26)13-7-3-1-4-8-13)23-16(15)12-28-18(27)14-9-5-2-6-10-14/h1-11H,12H2,(H2,22,23,24,25,26,29)