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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C

InChI

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