3-bromanyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H14BrN3O2S/c22-15-8-4-7-14(11-15)19(26)25-21(28)23-16-9-10-18-17(12-16)24-20(27-18)13-5-2-1-3-6-13/h1-12H,(H2,23,25,26,28)