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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C26H18BrN3O3S MolecularWeight: 532.40842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C26H18BrN3O3S/c1-32-21-11-10-16(14-20(21)27)24(31)30-26(34)28-18-7-4-6-17(13-18)25-29-23-19-8-3-2-5-15(19)9-12-22(23)33-25/h2-14H,1H3,(H2,28,30,31,34)