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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O3S/c1-31-20-12-9-17(10-13-20)24(30)29-26(33)27-19-7-4-6-18(15-19)25-28-23-21-8-3-2-5-16(21)11-14-22(23)32-25/h2-15H,1H3,(H2,27,29,30,33)