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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-benzyloxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-4-benzoxy-benzamide Formula: C32H23N3O3S MolecularWeight: 529.60832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC6=CC=CC=C65

InChI

InChI=1S/C32H23N3O3S/c36-30(23-13-16-26(17-14-23)37-20-21-7-2-1-3-8-21)35-32(39)33-25-11-6-10-24(19-25)31-34-29-27-12-5-4-9-22(27)15-18-28(29)38-31/h1-19H,20H2,(H2,33,35,36,39)