3-butoxy-N-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C21H24ClN3O4S/c1-3-4-10-28-17-7-5-6-15(12-17)20(27)23-21(30)25-24-19(26)13-29-18-9-8-16(22)11-14(18)2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,26)(H2,23,25,27,30)