N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C29H18BrN3O3S MolecularWeight: 568.44052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=C(O5)C6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=C(O5)C6=CC=C(C=C6)Br

InChI

InChI=1S/C29H18BrN3O3S/c30-20-11-8-18(9-12-20)23-14-15-25(35-23)27(34)33-29(37)31-21-6-3-5-19(16-21)28-32-26-22-7-2-1-4-17(22)10-13-24(26)36-28/h1-16H,(H2,31,33,34,37)