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

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-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=CC=C1C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-2-3-6-13-28-18-8-5-4-7-17(18)20(27)23-21(29)25-24-19(26)14-15-9-11-16(22)12-10-15/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,24,26)(H2,23,25,27,29)