N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-5-bromo-1-naphthamide Formula: C29H18BrN3O2S MolecularWeight: 552.44112

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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=CC6=C5C=CC=C6Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=CC6=C5C=CC=C6Br

InChI

InChI=1S/C29H18BrN3O2S/c30-24-13-5-10-21-22(24)11-4-12-23(21)27(34)33-29(36)31-19-8-3-7-18(16-19)28-32-26-20-9-2-1-6-17(20)14-15-25(26)35-28/h1-16H,(H2,31,33,34,36)