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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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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=C(C=CC(=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClN3O2S/c22-13-6-8-16(23)15(10-13)19(27)26-21(29)24-14-7-9-18-17(11-14)25-20(28-18)12-4-2-1-3-5-12/h1-11H,(H2,24,26,27,29)