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

Systemtic Name: N-[[2-(4-chloranylphenoxy)ethanoylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[2-(4-chlorophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-2-3-6-13-28-18-8-5-4-7-17(18)20(27)23-21(30)25-24-19(26)14-29-16-11-9-15(22)10-12-16/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,24,26)(H2,23,25,27,30)