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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C28H23N3O3S/c1-2-16-33-22-13-10-19(11-14-22)26(32)31-28(35)29-21-8-5-7-20(17-21)27-30-25-23-9-4-3-6-18(23)12-15-24(25)34-27/h3-15,17H,2,16H2,1H3,(H2,29,31,32,35)