propan-2-yl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromonicotinoyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H16BrN3O3S/c1-10(2)24-16(23)11-3-5-14(6-4-11)20-17(25)21-15(22)12-7-13(18)9-19-8-12/h3-10H,1-2H3,(H2,20,21,22,25)