4-heptoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(4-phenoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-phenoxyphenyl)thiocarbamoyl]benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3S/c1-2-3-4-5-9-20-31-23-16-12-21(13-17-23)26(30)29-27(33)28-22-14-18-25(19-15-22)32-24-10-7-6-8-11-24/h6-8,10-19H,2-5,9,20H2,1H3,(H2,28,29,30,33)