4-hexoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 4-hexoxy-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3S/c1-2-3-4-8-18-31-24-16-14-22(15-17-24)26(30)29-27(33)28-23-12-9-13-25(19-23)32-20-21-10-6-5-7-11-21/h5-7,9-17,19H,2-4,8,18,20H2,1H3,(H2,28,29,30,33)