N-[(3-ethanoylphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[(3-ethanoylphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C22H26N2O3S/c1-3-4-5-8-14-27-20-13-7-6-12-19(20)21(26)24-22(28)23-18-11-9-10-17(15-18)16(2)25/h6-7,9-13,15H,3-5,8,14H2,1-2H3,(H2,23,24,26,28)