N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromanyl-benzamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromanyl-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromo-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-bromobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-bromo-benzamide Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

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