N-[(4-hexylphenyl)carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(4-hexylphenyl)carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(4-hexylphenyl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[(4-hexylanilino)-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(4-hexylphenyl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[(4-hexylphenyl)thiocarbamoyl]-2-phenoxy-acetamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-2-3-4-6-9-17-12-14-18(15-13-17)22-21(26)23-20(24)16-25-19-10-7-5-8-11-19/h5,7-8,10-15H,2-4,6,9,16H2,1H3,(H2,22,23,24,26)