N-[(4-phenylmethoxyphenyl)carbamothioyl]octanamide

Systemtic Name: N-[(4-phenylmethoxyphenyl)carbamothioyl]octanamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]octanamide CAS Name: N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(4-phenylmethoxyphenyl)carbamothioyl]octanamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]caprylamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-2-3-4-5-9-12-21(25)24-22(27)23-19-13-15-20(16-14-19)26-17-18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12,17H2,1H3,(H2,23,24,25,27)