N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H38N2O3S MolecularWeight: 470.66722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCCCCC

InChI

InChI=1S/C27H38N2O3S/c1-3-5-7-9-11-21-32-25-18-14-23(15-19-25)28-27(33)29-26(30)22-12-16-24(17-13-22)31-20-10-8-6-4-2/h12-19H,3-11,20-21H2,1-2H3,(H2,28,29,30,33)