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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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