4-bromanyl-N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiocarbamoyl]benzamide Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN4O3S/c1-11-15(16(24-27-11)12-5-3-2-4-6-12)18(26)22-23-19(28)21-17(25)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,22,26)(H2,21,23,25,28)