N-[(2,6-diethylphenyl)carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[(2,6-diethylphenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(2,6-diethylphenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(2,6-diethylanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(2,6-diethylphenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(2,6-diethylphenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

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