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

Systemtic Name: butyl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromonicotinoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-2-3-8-25-17(24)12-4-6-15(7-5-12)21-18(26)22-16(23)13-9-14(19)11-20-10-13/h4-7,9-11H,2-3,8H2,1H3,(H2,21,22,23,26)