N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O4S/c1-32-20-11-6-12-21(33-2)23(20)25(31)30-27(35)28-18-9-5-8-17(15-18)26-29-24-19-10-4-3-7-16(19)13-14-22(24)34-26/h3-15H,1-2H3,(H2,28,30,31,35)