N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C27H20BrN3O3S MolecularWeight: 546.435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54)Br

InChI

InChI=1S/C27H20BrN3O3S/c1-2-33-22-12-11-17(15-21(22)28)25(32)31-27(35)29-19-8-5-7-18(14-19)26-30-24-20-9-4-3-6-16(20)10-13-23(24)34-26/h3-15H,2H2,1H3,(H2,29,31,32,35)