N-[(4-phenoxyphenyl)carbamothioyl]octanamide

Systemtic Name: N-[(4-phenoxyphenyl)carbamothioyl]octanamide Openeye Name: N-[(4-phenoxyphenyl)carbamothioyl]octanamide CAS Name: N-[(4-phenoxyanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(4-phenoxyphenyl)carbamothioyl]octanamide Traditional Name: N-[(4-phenoxyphenyl)thiocarbamoyl]caprylamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-2-3-4-5-9-12-20(24)23-21(26)22-17-13-15-19(16-14-17)25-18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12H2,1H3,(H2,22,23,24,26)