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

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-2-3-4-13-28-18-11-7-16(8-12-18)20(27)23-21(29)25-24-19(26)14-15-5-9-17(22)10-6-15/h5-12H,2-4,13-14H2,1H3,(H,24,26)(H2,23,25,27,29)