N-[(4-heptoxyphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCCCCC

InChI

InChI=1S/C27H38N2O3S/c1-3-5-7-9-13-20-31-23-18-16-22(17-19-23)28-27(33)29-26(30)24-14-10-11-15-25(24)32-21-12-8-6-4-2/h10-11,14-19H,3-9,12-13,20-21H2,1-2H3,(H2,28,29,30,33)