N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C

InChI

InChI=1S/C22H27N3O4S/c1-3-4-7-14-28-18-12-10-17(11-13-18)21(27)23-22(30)25-24-20(26)15-29-19-9-6-5-8-16(19)2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,24,26)(H2,23,25,27,30)