N-[(4-ethoxyphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[(4-ethoxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(4-ethoxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(4-ethoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 4-hexoxy-N-(p-phenetylthiocarbamoyl)benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H28N2O3S/c1-3-5-6-7-16-27-20-12-8-17(9-13-20)21(25)24-22(28)23-18-10-14-19(15-11-18)26-4-2/h8-15H,3-7,16H2,1-2H3,(H2,23,24,25,28)